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Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.
Benzene and substituted derivatives (3,630)
Phenols (481)
Naphthalenes (122)
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Phenol esters (46)
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Phenanthrenes and derivatives (16)
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Unsubstituted Phenols (10)
Dibenzocycloheptenes (1)

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1 – 15 of 2,187 results
1
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Iodobenzene diacetate, 98%

CAS: 3240-34-4 Molecular Formula: C10H11IO4 Molecular Weight (g/mol): 322.09 InChI Key: ZBIKORITPGTTGI-UHFFFAOYSA-N Synonym: iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo PubChem CID: 76724 IUPAC Name: [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate SMILES: CC(=O)OI(C1=CC=CC=C1)OC(=O)C

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PubChem CID 76724
CAS 3240-34-4
Molecular Weight (g/mol) 322.09
SMILES CC(=O)OI(C1=CC=CC=C1)OC(=O)C
Synonym iodobenzene diacetate,diacetoxyiodo benzene,iodosobenzene diacetate,phenyliodine diacetate,phenyliodo diacetate,phenyliodoso acetate,phenyliodosodiacetate,phenyliodoso diacetate,bis acetato phenyliodine,benzene, diacetoxyiodo
IUPAC Name [acetyloxy(phenyl)-$l^{3}-iodanyl] acetate
InChI Key ZBIKORITPGTTGI-UHFFFAOYSA-N
Molecular Formula C10H11IO4
2

Benzyl alcohol, specified according to requirements of Ph.Eur.

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
3
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Benzoic acid, 99.6%, ACS reagent

CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O

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PubChem CID 243
CAS 65-85-0
Molecular Weight (g/mol) 122.12
ChEBI CHEBI:30746
SMILES C1=CC=C(C=C1)C(=O)O
Synonym benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv
IUPAC Name benzoic acid
InChI Key WPYMKLBDIGXBTP-UHFFFAOYSA-N
Molecular Formula C7H6O2
4

Aluminon, ACS reagent

CAS: 569-58-4 Molecular Formula: C22H23N3O9 Molecular Weight (g/mol): 473.44 InChI Key: AIPNSHNRCQOTRI-UHFFFAOYSA-N Synonym: aluminon,ammonium aurintricarboxylate,aurintricarboxylic acid ammonium salt,aurintricarboxylic acid, acs PubChem CID: 54729869 ChEBI: CHEBI:87398 IUPAC Name: triazanium;5-[(3-carboxy-4-oxidophenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidobenzoate SMILES: C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)[O-])C(=O)[O-])C(=O)O)[O-].[NH4+].[NH4+].[NH4+]

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PubChem CID 54729869
CAS 569-58-4
Molecular Weight (g/mol) 473.44
ChEBI CHEBI:87398
SMILES C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O)C3=CC(=C(C=C3)[O-])C(=O)[O-])C(=O)O)[O-].[NH4+].[NH4+].[NH4+]
Synonym aluminon,ammonium aurintricarboxylate,aurintricarboxylic acid ammonium salt,aurintricarboxylic acid, acs
IUPAC Name triazanium;5-[(3-carboxy-4-oxidophenyl)-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-oxidobenzoate
InChI Key AIPNSHNRCQOTRI-UHFFFAOYSA-N
Molecular Formula C22H23N3O9
5
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4-Acetamidophenol, 98%

CAS: 103-90-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00002328 InChI Key: RZVAJINKPMORJF-UHFFFAOYSA-N Synonym: acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol PubChem CID: 1983 ChEBI: CHEBI:46195 IUPAC Name: N-(4-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=C(O)C=C1

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PubChem CID 1983
CAS 103-90-2
Molecular Weight (g/mol) 151.17
ChEBI CHEBI:46195
MDL Number MFCD00002328
SMILES CC(=O)NC1=CC=C(O)C=C1
Synonym acetaminophen,4-acetamidophenol,paracetamol,apap,n-4-hydroxyphenyl acetamide,tylenol,acetaminofen,panadol,datril,p-acetamidophenol
IUPAC Name N-(4-hydroxyphenyl)acetamide
InChI Key RZVAJINKPMORJF-UHFFFAOYSA-N
Molecular Formula C8H9NO2
6
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4-Cyanophenol, 99%

CAS: 767-00-0 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.12 MDL Number: MFCD00002312 InChI Key: CVNOWLNNPYYEOH-UHFFFAOYSA-N Synonym: 4-cyanophenol,p-hydroxybenzonitrile,p-cyanophenol,benzonitrile, 4-hydroxy,benzonitrile, p-hydroxy,4-cyano phenol,4-hydroxybenzoic acid nitrile,4-hydroxy-benzonitrile,4-hydroxy benzonitrile,4-hydroxybenzenecarbonitrile PubChem CID: 13019 ChEBI: CHEBI:38622 IUPAC Name: 4-hydroxybenzonitrile SMILES: C1=CC(=CC=C1C#N)O

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PubChem CID 13019
CAS 767-00-0
Molecular Weight (g/mol) 119.12
ChEBI CHEBI:38622
MDL Number MFCD00002312
SMILES C1=CC(=CC=C1C#N)O
Synonym 4-cyanophenol,p-hydroxybenzonitrile,p-cyanophenol,benzonitrile, 4-hydroxy,benzonitrile, p-hydroxy,4-cyano phenol,4-hydroxybenzoic acid nitrile,4-hydroxy-benzonitrile,4-hydroxy benzonitrile,4-hydroxybenzenecarbonitrile
IUPAC Name 4-hydroxybenzonitrile
InChI Key CVNOWLNNPYYEOH-UHFFFAOYSA-N
Molecular Formula C7H5NO
7
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3,5-Dinitrosalicylic acid, 98%

CAS: 609-99-4 Molecular Formula: C7H4N2O7 Molecular Weight (g/mol): 228.12 MDL Number: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Synonym: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]

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PubChem CID 11873
CAS 609-99-4
Molecular Weight (g/mol) 228.12
ChEBI CHEBI:53648
MDL Number MFCD00007104
SMILES C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
Synonym 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid
InChI Key LWFUFLREGJMOIZ-UHFFFAOYSA-N
Molecular Formula C7H4N2O7
8
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Phenylacetaldehyde, 98%, stabilized

CAS: 122-78-1 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N Synonym: phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1

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PubChem CID 998
CAS 122-78-1
Molecular Weight (g/mol) 120.15
ChEBI CHEBI:16424
MDL Number MFCD00006993
SMILES O=CCC1=CC=CC=C1
Synonym phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde
IUPAC Name 2-phenylacetaldehyde
InChI Key DTUQWGWMVIHBKE-UHFFFAOYSA-N
Molecular Formula C8H8O
9

Benzyltriethylammonium chloride, 99%

CAS: 56-37-1 Molecular Formula: C13H22ClN Molecular Weight (g/mol): 227.78 MDL Number: MFCD00011824 InChI Key: HTZCNXWZYVXIMZ-UHFFFAOYSA-M Synonym: benzyltriethylammonium chloride,tebac,benzyl triethylammonium chloride,benzyl triethyl ammonium chloride,benzyltriethylammoniumchloride,triethylbenzylammonium chloride,bteac,teba,benzyltriethylazanium chloride,n-benzyl-n,n-diethylethanaminium chloride PubChem CID: 66133 IUPAC Name: benzyl(triethyl)azanium;chloride SMILES: [Cl-].CC[N+](CC)(CC)CC1=CC=CC=C1

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PubChem CID 66133
CAS 56-37-1
Molecular Weight (g/mol) 227.78
MDL Number MFCD00011824
SMILES [Cl-].CC[N+](CC)(CC)CC1=CC=CC=C1
Synonym benzyltriethylammonium chloride,tebac,benzyl triethylammonium chloride,benzyl triethyl ammonium chloride,benzyltriethylammoniumchloride,triethylbenzylammonium chloride,bteac,teba,benzyltriethylazanium chloride,n-benzyl-n,n-diethylethanaminium chloride
IUPAC Name benzyl(triethyl)azanium;chloride
InChI Key HTZCNXWZYVXIMZ-UHFFFAOYSA-M
Molecular Formula C13H22ClN
10

Benzyl alcohol, for analysis

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
11
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Bis(triphenylphosphine)palladium(II) chloride, for analysis, 15% Pd

CAS: 13965-03-2 Molecular Formula: C36H30Cl2P2Pd Molecular Weight (g/mol): 701.90 MDL Number: MFCD00009593 InChI Key: YNHIGQDRGKUECZ-UHFFFAOYSA-L Synonym: bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g PubChem CID: 131664180 IUPAC Name: ethane;methane;palladium(2+);triphenylphosphane;dichloride SMILES: [Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 131664180
CAS 13965-03-2
Molecular Weight (g/mol) 701.90
MDL Number MFCD00009593
SMILES [Cl-].[Cl-].[Pd++].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
Synonym bis triphenylphosphine palladium ii dichloride,bis triphenylphosphine palladium ii chloride,dichlorobis triphenylphosphine palladium,bis triphenylphosphine palladium chloride,bis triphenylphosphine palladiuml ii dichloride,palladium 2+ ; triphenylphosphane; dichloride,trans-dichlorobis triphenylphosphine palladium ii 1g
IUPAC Name ethane;methane;palladium(2+);triphenylphosphane;dichloride
InChI Key YNHIGQDRGKUECZ-UHFFFAOYSA-L
Molecular Formula C36H30Cl2P2Pd
12
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4,5-Dihydroxynaphthalene-2,7-disulfonic acid, disodium salt dihydrate, ACS reagent

CAS: 5808-22-0 Molecular Formula: C10H10Na2O10S2 Molecular Weight (g/mol): 400.28 MDL Number: MFCD00150612 InChI Key: QUEAKWJKJBFNEG-UHFFFAOYSA-L Synonym: chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g PubChem CID: 124202444 IUPAC Name: 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate SMILES: O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]

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PubChem CID 124202444
CAS 5808-22-0
Molecular Weight (g/mol) 400.28
MDL Number MFCD00150612
SMILES O.O.OC1=CC(=CC2=CC(=CC(O)=C12)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
Synonym chromotropic acid sodium salt,4,5-dihydroxy-2,7-naphthalenedisulfonate,di sodium; 4,5-dihydroxy-7-sulfo-naphthalene-2-sulfonic acid,4,5-dihydroxynaphthalene-2,7-disulfonic acid disodium salt dihydrate, acs 5g
IUPAC Name 2,7-disodium 4,5-dihydroxynaphthalene-2,7-disulfonate dihydrate
InChI Key QUEAKWJKJBFNEG-UHFFFAOYSA-L
Molecular Formula C10H10Na2O10S2
13
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N-Benzylbenzamide, 99%

CAS: 1485-70-7 Molecular Formula: C14H13NO Molecular Weight (g/mol): 211.26 MDL Number: MFCD00003070 InChI Key: LKQUCICFTHBFAL-UHFFFAOYSA-N Synonym: benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa PubChem CID: 73878 IUPAC Name: N-benzylbenzamide SMILES: O=C(NCC1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 73878
CAS 1485-70-7
Molecular Weight (g/mol) 211.26
MDL Number MFCD00003070
SMILES O=C(NCC1=CC=CC=C1)C1=CC=CC=C1
Synonym benzamide, n-phenylmethyl,n-benzyl-benzamide,phenyl-n-benzylcarboxamide,benzoylbenzylamine,n∼1∼-benzylbenzamide,benzamide, n-benzyl,n-phenylmethyl benzamide,acmc-1bx9y,n-benzylbenzamide,lkqucicfthbfal-uhfffaoysa
IUPAC Name N-benzylbenzamide
InChI Key LKQUCICFTHBFAL-UHFFFAOYSA-N
Molecular Formula C14H13NO
14
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Orcinol Monohydrate, 99%

CAS: 6153-39-5 Molecular Formula: C7H8O2·H2O Molecular Weight (g/mol): 142.15 MDL Number: MFCD00149092 InChI Key: NBKPNAMTHBIMLA-UHFFFAOYSA-N Synonym: 5-methylbenzene-1,3-diol hydrate,orcinol monohydrate,5-methylresorcinol monohydrate,3,5-dihydroxytoluene monohydrate,orcinol hydrate,resorcinol, 5-methyl-, monohydrate,1,3-benzenediol, 5-methyl-, monohydrate,1,3-dihydroxy-5-methylbenzene monohydrate,acmc-209mtl,5-methylresorcinol hydrate PubChem CID: 3083941 IUPAC Name: 5-methylbenzene-1,3-diol;hydrate SMILES: CC1=CC(=CC(=C1)O)O.O

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PubChem CID 3083941
CAS 6153-39-5
Molecular Weight (g/mol) 142.15
MDL Number MFCD00149092
SMILES CC1=CC(=CC(=C1)O)O.O
Synonym 5-methylbenzene-1,3-diol hydrate,orcinol monohydrate,5-methylresorcinol monohydrate,3,5-dihydroxytoluene monohydrate,orcinol hydrate,resorcinol, 5-methyl-, monohydrate,1,3-benzenediol, 5-methyl-, monohydrate,1,3-dihydroxy-5-methylbenzene monohydrate,acmc-209mtl,5-methylresorcinol hydrate
IUPAC Name 5-methylbenzene-1,3-diol;hydrate
InChI Key NBKPNAMTHBIMLA-UHFFFAOYSA-N
Molecular Formula C7H8O2·H2O
15
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4-Nitrobenzaldehyde, 99%

CAS: 555-16-8 Molecular Formula: C7H5NO3 Molecular Weight (g/mol): 151.12 MDL Number: MFCD00007346 InChI Key: BXRFQSNOROATLV-UHFFFAOYSA-N Synonym: p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675 PubChem CID: 541 ChEBI: CHEBI:66926 IUPAC Name: 4-nitrobenzaldehyde SMILES: [O-][N+](=O)C1=CC=C(C=O)C=C1

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PubChem CID 541
CAS 555-16-8
Molecular Weight (g/mol) 151.12
ChEBI CHEBI:66926
MDL Number MFCD00007346
SMILES [O-][N+](=O)C1=CC=C(C=O)C=C1
Synonym p-nitrobenzaldehyde,benzaldehyde, 4-nitro,p-formylnitrobenzene,benzaldehyde, p-nitro,4-nitrobenzaldehydde,4-nitro-benzaldehyde,4-formylnitrobenzene,p-nitro benzaldehyde,4-nitro benzaldehyde,ccris 1675
IUPAC Name 4-nitrobenzaldehyde
InChI Key BXRFQSNOROATLV-UHFFFAOYSA-N
Molecular Formula C7H5NO3