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Unclassified Organic Compounds

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1 – 15 of 56 results
1

N-Benzyltropinone, 97%, Thermo Scientific™

CAS: 28957-72-4 Molecular Formula: C14H17NO Molecular Weight (g/mol): 215.30 MDL Number: MFCD00151640 InChI Key: RSUHKGOVXMXCND-UHFFFAOYNA-N Synonym: 8-benzyl-8-azabicyclo 3.2.1 octan-3-one,n-benzylnortropinone,n-benzyltropinone,8-benzyl-8-aza-bicyclo 3.2.1 octan-3-one,8-phenylmethyl-8-azabicyclo 3.2.1 octan-3-one,8-azabicyclo 3.2.1 octan-3-one, 8-phenylmethyl,n-benzyl tropinone,8-benzyl-8-azabicyclo 3.2.1 octan-3-on,n-benzyl-8-azabicyclo 3.2.1 octan-3-one PubChem CID: 119846 IUPAC Name: 8-benzyl-8-azabicyclo[3.2.1]octan-3-one SMILES: O=C1CC2CCC(C1)N2CC1=CC=CC=C1

PubChem CID 119846
CAS 28957-72-4
Molecular Weight (g/mol) 215.30
MDL Number MFCD00151640
SMILES O=C1CC2CCC(C1)N2CC1=CC=CC=C1
Synonym 8-benzyl-8-azabicyclo 3.2.1 octan-3-one,n-benzylnortropinone,n-benzyltropinone,8-benzyl-8-aza-bicyclo 3.2.1 octan-3-one,8-phenylmethyl-8-azabicyclo 3.2.1 octan-3-one,8-azabicyclo 3.2.1 octan-3-one, 8-phenylmethyl,n-benzyl tropinone,8-benzyl-8-azabicyclo 3.2.1 octan-3-on,n-benzyl-8-azabicyclo 3.2.1 octan-3-one
IUPAC Name 8-benzyl-8-azabicyclo[3.2.1]octan-3-one
InChI Key RSUHKGOVXMXCND-UHFFFAOYNA-N
Molecular Formula C14H17NO
2

Diethyle2,5-dibromohexanedioate, 97%, Thermo Scientific™

CAS: 869-10-3 Molecular Formula: C10H16Br2O4 Molecular Weight (g/mol): 360.04 MDL Number: MFCD00075379 InChI Key: UBCNJHBDCUBIPB-UHFFFAOYNA-N Synonym: diethyl 2,5-dibromoadipate,diethyl meso-2,5-dibromoadipate,1,6-diethyl 2,5-dibromohexanedioate,2,5-dibromoadipic acid diethyl ester,hexanedioic acid, 2,5-dibromo-, diethyl ester,diethyl2,5-dibromohexanedioate,2,5-dibromohexanedioic acid diethyl ester,acmc-1bjoi,diethylmeso-dibromoadipate,diethylmeso-2,5-dibromoadipate PubChem CID: 241588 IUPAC Name: diethyl 2,5-dibromohexanedioate SMILES: CCOC(=O)C(Br)CCC(Br)C(=O)OCC

PubChem CID 241588
CAS 869-10-3
Molecular Weight (g/mol) 360.04
MDL Number MFCD00075379
SMILES CCOC(=O)C(Br)CCC(Br)C(=O)OCC
Synonym diethyl 2,5-dibromoadipate,diethyl meso-2,5-dibromoadipate,1,6-diethyl 2,5-dibromohexanedioate,2,5-dibromoadipic acid diethyl ester,hexanedioic acid, 2,5-dibromo-, diethyl ester,diethyl2,5-dibromohexanedioate,2,5-dibromohexanedioic acid diethyl ester,acmc-1bjoi,diethylmeso-dibromoadipate,diethylmeso-2,5-dibromoadipate
IUPAC Name diethyl 2,5-dibromohexanedioate
InChI Key UBCNJHBDCUBIPB-UHFFFAOYNA-N
Molecular Formula C10H16Br2O4
3

chroman-8-carbonyl chloride, Thermo Scientific™

CAS: 1034566-09-0 Molecular Formula: C10H9ClO2 Molecular Weight (g/mol): 196.63 InChI Key: TTYLUAYKWAEQDM-UHFFFAOYSA-N Synonym: chroman-8-carbonyl chloride,3,4-dihydro-2h-1-benzopyran-8-carbonyl chloride,chromane-8-carbonyl chloride PubChem CID: 15480465

PubChem CID 15480465
CAS 1034566-09-0
Molecular Weight (g/mol) 196.63
Synonym chroman-8-carbonyl chloride,3,4-dihydro-2h-1-benzopyran-8-carbonyl chloride,chromane-8-carbonyl chloride
InChI Key TTYLUAYKWAEQDM-UHFFFAOYSA-N
Molecular Formula C10H9ClO2
4

3-Ethoxyacrylic acid, 95%, Thermo Scientific™

CAS: 6192-01-4 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 InChI Key: SYMAGJYJMLUEQE-ONEGZZNKSA-N Synonym: 3-ethoxyacrylic acid,e-3-ethoxyacrylic acid,3-ethoxyprop-2-enoic acid,3-ethyoxyacrylic acid,3-ethoxy-2-propenoic acid,2e-3-ethoxyprop-2-enoic acid,2e-3-ethoxyacrylic acid,3-ethoxyacrylicacid,pubchem20958,e-3-ethoxy-acrylic acid PubChem CID: 5709609

PubChem CID 5709609
CAS 6192-01-4
Molecular Weight (g/mol) 116.12
Synonym 3-ethoxyacrylic acid,e-3-ethoxyacrylic acid,3-ethoxyprop-2-enoic acid,3-ethyoxyacrylic acid,3-ethoxy-2-propenoic acid,2e-3-ethoxyprop-2-enoic acid,2e-3-ethoxyacrylic acid,3-ethoxyacrylicacid,pubchem20958,e-3-ethoxy-acrylic acid
InChI Key SYMAGJYJMLUEQE-ONEGZZNKSA-N
Molecular Formula C5H8O3
5

ethylethiomorpholine-3-carboxylate hydrochloride, 90%, Thermo Scientific™

CAS: 159381-07-4 Molecular Formula: C7H14ClNO2S Molecular Weight (g/mol): 211.704 MDL Number: MFCD00107968 InChI Key: QQRCEZBURAQLBQ-UHFFFAOYSA-N Synonym: ethyl thiomorpholine-3-carboxylate hydrochloride,thiomorpholine-3-carboxylic acid ethyl ester hydrochloride,thiomorpholine-3-carboxylic acid ethyl ester hcl,thiomorpholine-3-carboxylicacidethylesterhydrochloride,ethyl thiomorpholine-3-carboxylate hcl,ethylthiomorpholine-3-carboxylatehydrochloride,3-ethoxycarbonyl thiomorpholine hydrochloride,ethyl 1,4-thiazinane-3-carboxylate hydrochloride,ethyl 1,4-thiazaperhydroine-3-carboxylate, chloride,thiomorpholine-3-carboxylic acid ethyl esterhydrochloride PubChem CID: 17433447 IUPAC Name: ethyl thiomorpholine-3-carboxylate;hydrochloride SMILES: CCOC(=O)C1CSCCN1.Cl

PubChem CID 17433447
CAS 159381-07-4
Molecular Weight (g/mol) 211.704
MDL Number MFCD00107968
SMILES CCOC(=O)C1CSCCN1.Cl
Synonym ethyl thiomorpholine-3-carboxylate hydrochloride,thiomorpholine-3-carboxylic acid ethyl ester hydrochloride,thiomorpholine-3-carboxylic acid ethyl ester hcl,thiomorpholine-3-carboxylicacidethylesterhydrochloride,ethyl thiomorpholine-3-carboxylate hcl,ethylthiomorpholine-3-carboxylatehydrochloride,3-ethoxycarbonyl thiomorpholine hydrochloride,ethyl 1,4-thiazinane-3-carboxylate hydrochloride,ethyl 1,4-thiazaperhydroine-3-carboxylate, chloride,thiomorpholine-3-carboxylic acid ethyl esterhydrochloride
IUPAC Name ethyl thiomorpholine-3-carboxylate;hydrochloride
InChI Key QQRCEZBURAQLBQ-UHFFFAOYSA-N
Molecular Formula C7H14ClNO2S
6

4-(Phenoxymethyl)benzenesulfonyl chloride, 97%, Thermo Scientific™

CAS: 1002727-89-0 Molecular Formula: C13H11ClO3S Molecular Weight (g/mol): 282.74 InChI Key: ITLWVYCIZYWFNW-UHFFFAOYSA-N Synonym: 4-phenoxymethyl benzenesulfonyl chloride,4-phenoxymethyl benzene-1-sulfonyl chloride PubChem CID: 43811043

PubChem CID 43811043
CAS 1002727-89-0
Molecular Weight (g/mol) 282.74
Synonym 4-phenoxymethyl benzenesulfonyl chloride,4-phenoxymethyl benzene-1-sulfonyl chloride
InChI Key ITLWVYCIZYWFNW-UHFFFAOYSA-N
Molecular Formula C13H11ClO3S
7

Methyle3-hydroxythiophene-2-carboxylate, 97%, Thermo Scientific™

Molecular Formula: C6H6O3S MDL Number: MFCD00055642

MDL Number MFCD00055642
Molecular Formula C6H6O3S
8

4-(Ethylamino)benzoic acid, 97%, Thermo Scientific™

CAS: 7409-09-8 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00102118 InChI Key: SWXFMMWYVSYQGF-UHFFFAOYSA-N Synonym: 4-ethylamino benzoic acid,4-ethylaminobenzoic acid,benzoic acid,4-ethylamino,maybridge1_002225,p-athylaminobenzoesaure,swxfmmwyvsyqgf-uhfffaoysa-n PubChem CID: 2775249

PubChem CID 2775249
CAS 7409-09-8
Molecular Weight (g/mol) 165.19
MDL Number MFCD00102118
Synonym 4-ethylamino benzoic acid,4-ethylaminobenzoic acid,benzoic acid,4-ethylamino,maybridge1_002225,p-athylaminobenzoesaure,swxfmmwyvsyqgf-uhfffaoysa-n
InChI Key SWXFMMWYVSYQGF-UHFFFAOYSA-N
Molecular Formula C9H11NO2
9

5-Nitro-2-indanone, 97%, Thermo Scientific™

CAS: 116530-60-0 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00598938 InChI Key: VSEBFWRYDORZJI-UHFFFAOYSA-N PubChem CID: 1502066 IUPAC Name: 5-nitro-1,3-dihydroinden-2-one SMILES: [O-][N+](=O)C1=CC2=C(CC(=O)C2)C=C1

PubChem CID 1502066
CAS 116530-60-0
Molecular Weight (g/mol) 177.16
MDL Number MFCD00598938
SMILES [O-][N+](=O)C1=CC2=C(CC(=O)C2)C=C1
IUPAC Name 5-nitro-1,3-dihydroinden-2-one
InChI Key VSEBFWRYDORZJI-UHFFFAOYSA-N
Molecular Formula C9H7NO3
10

2-bromo-1-phenyl-1H-imidazole, Thermo Scientific™

CAS: 1034566-05-6 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.07 InChI Key: KKPQUNLAAJJUCR-UHFFFAOYSA-N Synonym: 2-bromo-1-phenyl-1h-imidazole,2-bromo-1-phenylimidazole PubChem CID: 45594301

PubChem CID 45594301
CAS 1034566-05-6
Molecular Weight (g/mol) 223.07
Synonym 2-bromo-1-phenyl-1h-imidazole,2-bromo-1-phenylimidazole
InChI Key KKPQUNLAAJJUCR-UHFFFAOYSA-N
Molecular Formula C9H7BrN2
11

N1-(2-Chlorophenyl)-2-bromoacetamide, 95%, Thermo Scientific™

CAS: 5439-11-2 Molecular Formula: C8H7BrClNO Molecular Weight (g/mol): 248.50 MDL Number: MFCD00173815 InChI Key: WIOJXHICOOQVAB-UHFFFAOYSA-N Synonym: 2-bromo-n-2-chlorophenyl acetamide,n1-2-chlorophenyl-2-bromoacetamide,n-bromoacetyl-2'-chloroacetaniline,wiojxhicooqvab-uhfffaoysa-n,2-bromo-n-2-chloro-phenyl-acetamide,acetamide, 2-bromo-n-2-chlorophenyl PubChem CID: 225525

PubChem CID 225525
CAS 5439-11-2
Molecular Weight (g/mol) 248.50
MDL Number MFCD00173815
Synonym 2-bromo-n-2-chlorophenyl acetamide,n1-2-chlorophenyl-2-bromoacetamide,n-bromoacetyl-2'-chloroacetaniline,wiojxhicooqvab-uhfffaoysa-n,2-bromo-n-2-chloro-phenyl-acetamide,acetamide, 2-bromo-n-2-chlorophenyl
InChI Key WIOJXHICOOQVAB-UHFFFAOYSA-N
Molecular Formula C8H7BrClNO
12

4-(thien-2-ylmethyl)benzoyl chloride, Thermo Scientific™

CAS: 1151512-19-4 Molecular Formula: C12H9ClOS Molecular Weight (g/mol): 236.71 InChI Key: AOHWXUBTRWZCOZ-UHFFFAOYSA-N Synonym: 4-thien-2-ylmethyl benzoyl chloride,4-2-thienylmethyl benzoyl chloride,4-thiophen-2-ylmethyl benzoyl chloride,4-thiophen-2-yl methyl benzoyl chloride PubChem CID: 45594296

PubChem CID 45594296
CAS 1151512-19-4
Molecular Weight (g/mol) 236.71
Synonym 4-thien-2-ylmethyl benzoyl chloride,4-2-thienylmethyl benzoyl chloride,4-thiophen-2-ylmethyl benzoyl chloride,4-thiophen-2-yl methyl benzoyl chloride
InChI Key AOHWXUBTRWZCOZ-UHFFFAOYSA-N
Molecular Formula C12H9ClOS
13

4-(thien-2-ylmethyl)benzoic acid, Thermo Scientific™

CAS: 1002727-90-3 Molecular Formula: C12H10O2S Molecular Weight (g/mol): 218.27 InChI Key: OAIBKSRZDOMJKZ-UHFFFAOYSA-N Synonym: 4-thien-2-ylmethyl benzoic acid,4-2-thienylmethyl benzoic acid,4-thiophen-2-ylmethyl benzoic acid,4-thiophen-2-yl methyl benzoic acid PubChem CID: 20038987

PubChem CID 20038987
CAS 1002727-90-3
Molecular Weight (g/mol) 218.27
Synonym 4-thien-2-ylmethyl benzoic acid,4-2-thienylmethyl benzoic acid,4-thiophen-2-ylmethyl benzoic acid,4-thiophen-2-yl methyl benzoic acid
InChI Key OAIBKSRZDOMJKZ-UHFFFAOYSA-N
Molecular Formula C12H10O2S
14

(6-Phenyl-3-pyridinyl)methanol, 97%, Thermo Scientific™

CAS: 4634-09-7 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.23 MDL Number: MFCD03086132 InChI Key: RXXIVABOKBNIEI-UHFFFAOYSA-N Synonym: 6-phenylpyridin-3-yl methanol,6-phenyl-3-pyridinyl methanol,3-pyridinemethanol, 6-phenyl,6-phenyl-3-pyridylmethanol,3-pyridinemethanol,6-phenyl,6-phenyl-3-pyridyl-methanol,2-phenyl-5-hydroxymethylpyridine,rxxivabokbniei-uhfffaoysa-n,6-phenyl-3-pyridyl methan-1-ol PubChem CID: 22254216

PubChem CID 22254216
CAS 4634-09-7
Molecular Weight (g/mol) 185.23
MDL Number MFCD03086132
Synonym 6-phenylpyridin-3-yl methanol,6-phenyl-3-pyridinyl methanol,3-pyridinemethanol, 6-phenyl,6-phenyl-3-pyridylmethanol,3-pyridinemethanol,6-phenyl,6-phenyl-3-pyridyl-methanol,2-phenyl-5-hydroxymethylpyridine,rxxivabokbniei-uhfffaoysa-n,6-phenyl-3-pyridyl methan-1-ol
InChI Key RXXIVABOKBNIEI-UHFFFAOYSA-N
Molecular Formula C12H11NO
15

1,4-dimethylpiperazine-2-carboxylic acid dihydrochloride, Thermo Scientific™

CAS: 1174064-55-1 Molecular Formula: C7H16Cl2N2O2 Molecular Weight (g/mol): 231.117 InChI Key: UPJQXMOMHHDOSZ-UHFFFAOYSA-N Synonym: 1,4-dimethylpiperazine-2-carboxylic acid dihydrochloride,1,4-dimethylpiperazine-2-carboxylic acid,dihydrochloride,1,4-dimethylpiperazine-2-carboxylic acid, chloride, chloride,1,4-dimethylpiperazine-2-carboxylic acid-hydrogen chloride 1/2 PubChem CID: 45594293 IUPAC Name: 1,4-dimethylpiperazine-2-carboxylic acid;dihydrochloride SMILES: CN1CCN(C(C1)C(=O)O)C.Cl.Cl

PubChem CID 45594293
CAS 1174064-55-1
Molecular Weight (g/mol) 231.117
SMILES CN1CCN(C(C1)C(=O)O)C.Cl.Cl
Synonym 1,4-dimethylpiperazine-2-carboxylic acid dihydrochloride,1,4-dimethylpiperazine-2-carboxylic acid,dihydrochloride,1,4-dimethylpiperazine-2-carboxylic acid, chloride, chloride,1,4-dimethylpiperazine-2-carboxylic acid-hydrogen chloride 1/2
IUPAC Name 1,4-dimethylpiperazine-2-carboxylic acid;dihydrochloride
InChI Key UPJQXMOMHHDOSZ-UHFFFAOYSA-N
Molecular Formula C7H16Cl2N2O2