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Organic zwitterions

Organic zwitterions (from the German Zwitter meaning hermaphrodite) are organic molecules that contain the same number of positively charged functional groups and negatively charged functional groups; also called inner salts.

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  • (16)
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1 – 8 of 8 results
1

5-(4-Nitrophenyl)-1H-tetrazole, 97%

CAS: 16687-60-8 Molecular Formula: C7H5N5O2 Molecular Weight (g/mol): 191.15 MDL Number: MFCD00068729 InChI Key: MIUOBAHGBPSRKY-UHFFFAOYSA-N Synonym: 5-4-nitrophenyl-1h-tetrazole,5-4-nitrophenyl-2h-tetrazole,5-4-nitro-phenyl-2h-tetrazole,5-4-nitrophenyl tetrazole,5-4-nitrophenyl-1h-1,2,3,4-tetrazole,5-4-nitro-phenyl-1h-tetrazole,5-4-nitrophenyl-2h-1,2,3,4-tetrazole,maybridge1_004022,acmc-1bt31 PubChem CID: 285163 IUPAC Name: 5-(4-nitrophenyl)-2H-tetrazole SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=NNN=N1

PubChem CID 285163
CAS 16687-60-8
Molecular Weight (g/mol) 191.15
MDL Number MFCD00068729
SMILES [O-][N+](=O)C1=CC=C(C=C1)C1=NNN=N1
Synonym 5-4-nitrophenyl-1h-tetrazole,5-4-nitrophenyl-2h-tetrazole,5-4-nitro-phenyl-2h-tetrazole,5-4-nitrophenyl tetrazole,5-4-nitrophenyl-1h-1,2,3,4-tetrazole,5-4-nitro-phenyl-1h-tetrazole,5-4-nitrophenyl-2h-1,2,3,4-tetrazole,maybridge1_004022,acmc-1bt31
IUPAC Name 5-(4-nitrophenyl)-2H-tetrazole
InChI Key MIUOBAHGBPSRKY-UHFFFAOYSA-N
Molecular Formula C7H5N5O2
2

3-(4-Nitrophenyl)-1H-pyrazole, 97%, Thermo Scientific Chemicals

CAS: 20583-31-7 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00665859 InChI Key: IPIYADCDDIUVPS-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole PubChem CID: 2737071 IUPAC Name: 5-(4-nitrophenyl)-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1

PubChem CID 2737071
CAS 20583-31-7
Molecular Weight (g/mol) 189.17
MDL Number MFCD00665859
SMILES [O-][N+](=O)C1=CC=C(C=C1)C1=CC=NN1
Synonym 3-4-nitrophenyl-1h-pyrazole,3-4-nitrophenyl pyrazole,5-4-nitrophenyl-1h-pyrazole,3-4-nitro-phenyl-1h-pyrazole,5-4-nitrophenyl pyrazole,1h-pyrazole, 3-4-nitrophenyl,5-4-nitro-phenyl-1h-pyrazole,3-4-nitrophenyl-2h-pyrazole,nitrophenylpyrazole,p-nitrophenylpyrazole
IUPAC Name 5-(4-nitrophenyl)-1H-pyrazole
InChI Key IPIYADCDDIUVPS-UHFFFAOYSA-N
Molecular Formula C9H7N3O2
3

GW 9662, Thermo Scientific Chemicals

CAS: 22978-25-2 Molecular Formula: C13H9ClN2O3 Molecular Weight (g/mol): 276.676 MDL Number: MFCD01215270 InChI Key: DNTSIBUQMRRYIU-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzanilide,2-chloro-5-nitro-n-phenyl-benzamide,2-chloro-5-nitro-n-4-phenylbenzamide,2-chloro-5-nitrophenyl-n-benzamide,tocris-1508,spectrum5_001989,lopac-m-6191,d00acx,d05thb,dsstox_cid_20723 PubChem CID: 644213 ChEBI: CHEBI:79993 IUPAC Name: 2-chloro-5-nitro-N-phenylbenzamide SMILES: C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

PubChem CID 644213
CAS 22978-25-2
Molecular Weight (g/mol) 276.676
ChEBI CHEBI:79993
MDL Number MFCD01215270
SMILES C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl
Synonym 2-chloro-5-nitrobenzanilide,2-chloro-5-nitro-n-phenyl-benzamide,2-chloro-5-nitro-n-4-phenylbenzamide,2-chloro-5-nitrophenyl-n-benzamide,tocris-1508,spectrum5_001989,lopac-m-6191,d00acx,d05thb,dsstox_cid_20723
IUPAC Name 2-chloro-5-nitro-N-phenylbenzamide
InChI Key DNTSIBUQMRRYIU-UHFFFAOYSA-N
Molecular Formula C13H9ClN2O3
4

3-Nitro-N-phenylbenzamide, 97%, Thermo Scientific™

CAS: 2243-73-4 Molecular Formula: C13H10N2O3 Molecular Weight (g/mol): 242.234 MDL Number: MFCD00017021 InChI Key: VWIRWLAPFZXYSL-UHFFFAOYSA-N Synonym: 3-nitrobenzanilide,3-nitro-n-phenyl-benzamide,benzamide, 3-nitro-n-phenyl,3-nitrophenyl-n-benzamide,3-nitro-n-phenyl benzamide PubChem CID: 347755 IUPAC Name: 3-nitro-N-phenylbenzamide SMILES: C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

PubChem CID 347755
CAS 2243-73-4
Molecular Weight (g/mol) 242.234
MDL Number MFCD00017021
SMILES C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Synonym 3-nitrobenzanilide,3-nitro-n-phenyl-benzamide,benzamide, 3-nitro-n-phenyl,3-nitrophenyl-n-benzamide,3-nitro-n-phenyl benzamide
IUPAC Name 3-nitro-N-phenylbenzamide
InChI Key VWIRWLAPFZXYSL-UHFFFAOYSA-N
Molecular Formula C13H10N2O3
5

N-n-Hexyl-3,5-dinitrobenzamide, 97%, Thermo Scientific™

CAS: 92043-81-7 Molecular Formula: C13H17N3O5 Molecular Weight (g/mol): 295.295 MDL Number: MFCD00413284 InChI Key: ULUBCUUBHVXVDB-UHFFFAOYSA-N Synonym: n-n-hexyl-3,5-dinitrobenzamide,3,5-dinitrophenyl-n-hexylcarboxamide,3-hexylcarbamoyl-5-hydroxyazonoyl-phenyl azinic acid PubChem CID: 4456526 IUPAC Name: N-hexyl-3,5-dinitrobenzamide SMILES: CCCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

PubChem CID 4456526
CAS 92043-81-7
Molecular Weight (g/mol) 295.295
MDL Number MFCD00413284
SMILES CCCCCCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
Synonym n-n-hexyl-3,5-dinitrobenzamide,3,5-dinitrophenyl-n-hexylcarboxamide,3-hexylcarbamoyl-5-hydroxyazonoyl-phenyl azinic acid
IUPAC Name N-hexyl-3,5-dinitrobenzamide
InChI Key ULUBCUUBHVXVDB-UHFFFAOYSA-N
Molecular Formula C13H17N3O5
6

3-(3-Nitrophenyl)-1H-pyrazole, 97%, Thermo Scientific™

CAS: 59843-77-5 Molecular Formula: C9H7N3O2 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00106146 InChI Key: RUWXJVIBNZSEQD-UHFFFAOYSA-N Synonym: 3-3-nitrophenyl-1h-pyrazole,3-3-nitrophenyl pyrazole,3-3-nitro-phenyl-1h-pyrazole,5-3-nitrophenyl-1h-pyrazole,5-3-nitrophenyl pyrazole,5-3-nitro-phenyl-1h-pyrazole,3-3-nitrophenyl-2h-pyrazole,3-nitro phenylpyrazole,pubchem22739 PubChem CID: 2737070 IUPAC Name: 5-(3-nitrophenyl)-1H-pyrazole SMILES: [O-][N+](=O)C1=CC=CC(=C1)C1=CC=NN1

PubChem CID 2737070
CAS 59843-77-5
Molecular Weight (g/mol) 189.17
MDL Number MFCD00106146
SMILES [O-][N+](=O)C1=CC=CC(=C1)C1=CC=NN1
Synonym 3-3-nitrophenyl-1h-pyrazole,3-3-nitrophenyl pyrazole,3-3-nitro-phenyl-1h-pyrazole,5-3-nitrophenyl-1h-pyrazole,5-3-nitrophenyl pyrazole,5-3-nitro-phenyl-1h-pyrazole,3-3-nitrophenyl-2h-pyrazole,3-nitro phenylpyrazole,pubchem22739
IUPAC Name 5-(3-nitrophenyl)-1H-pyrazole
InChI Key RUWXJVIBNZSEQD-UHFFFAOYSA-N
Molecular Formula C9H7N3O2
7

N-(2-Bromophenyl)-4-nitrobenzamide, 97%, Thermo Scientific™

CAS: 99514-85-9 Molecular Formula: C13H9BrN2O3 Molecular Weight (g/mol): 321.13 MDL Number: MFCD00475065 InChI Key: FRFOXBSTPQRRJL-UHFFFAOYSA-N Synonym: n-2-bromophenyl-4-nitrobenzamide,cambridge id 5273912,4-nitrobenzamide, n-2-bromophenyl,n-2-bromo-phenyl-4-nitro-benzamide,n-2-bromophenyl 4-nitrophenyl carboxamide PubChem CID: 2056203 IUPAC Name: N-(2-bromophenyl)-4-nitrobenzamide SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br

PubChem CID 2056203
CAS 99514-85-9
Molecular Weight (g/mol) 321.13
MDL Number MFCD00475065
SMILES C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Br
Synonym n-2-bromophenyl-4-nitrobenzamide,cambridge id 5273912,4-nitrobenzamide, n-2-bromophenyl,n-2-bromo-phenyl-4-nitro-benzamide,n-2-bromophenyl 4-nitrophenyl carboxamide
IUPAC Name N-(2-bromophenyl)-4-nitrobenzamide
InChI Key FRFOXBSTPQRRJL-UHFFFAOYSA-N
Molecular Formula C13H9BrN2O3
8

N-(3-Chloro-4-methylphenyl)-4-nitrobenzamide, 97%, Thermo Scientific™

CAS: 5344-54-7 Molecular Formula: C14H11ClN2O3 Molecular Weight (g/mol): 290.703 MDL Number: MFCD00171547 InChI Key: WVMKIXPORUXIMJ-UHFFFAOYSA-N Synonym: n-3-chloro-4-methylphenyl-4-nitrobenzamide,3'-chloro-4'-methyl-4-nitrobenzanilide,benzamide,n-3-chloro-4-methylphenyl-4-nitro,n-3-chloro-4-methylphenyl 4-nitrophenyl carboxamide,n-3-chloro-4-methyl-phenyl-4-nitro-benzamide PubChem CID: 295397 IUPAC Name: N-(3-chloro-4-methylphenyl)-4-nitrobenzamide SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl

PubChem CID 295397
CAS 5344-54-7
Molecular Weight (g/mol) 290.703
MDL Number MFCD00171547
SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl
Synonym n-3-chloro-4-methylphenyl-4-nitrobenzamide,3'-chloro-4'-methyl-4-nitrobenzanilide,benzamide,n-3-chloro-4-methylphenyl-4-nitro,n-3-chloro-4-methylphenyl 4-nitrophenyl carboxamide,n-3-chloro-4-methyl-phenyl-4-nitro-benzamide
IUPAC Name N-(3-chloro-4-methylphenyl)-4-nitrobenzamide
InChI Key WVMKIXPORUXIMJ-UHFFFAOYSA-N
Molecular Formula C14H11ClN2O3