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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4-Bromo-2-nitroaniline, 98%

CAS: 875-51-4 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.02 MDL Number: MFCD00041312 InChI Key: ZCWBZRBJSPWUPG-UHFFFAOYSA-N Synonym: benzenamine, 4-bromo-2-nitro,2-nitro-4-bromoaniline,4-bromo-o-nitroaniline,p-bromo-o-nitroaniline,4-bromo-2-nitro-phenylamine,4-bromo-2-nitrobenzeneamine,aniline, 4-bromo-2-nitro,4-bromo-2-nitrobenzenamine,1-amino-4-bromo-2-nitrobenzene,4-bromo-2-nitro-aniline PubChem CID: 70132 IUPAC Name: 4-bromo-2-nitroaniline SMILES: NC1=CC=C(Br)C=C1[N+]([O-])=O

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Specifications

PubChem CID	70132
CAS	875-51-4
Molecular Weight (g/mol)	217.02
MDL Number	MFCD00041312
SMILES	NC1=CC=C(Br)C=C1[N+]([O-])=O
Synonym	benzenamine, 4-bromo-2-nitro,2-nitro-4-bromoaniline,4-bromo-o-nitroaniline,p-bromo-o-nitroaniline,4-bromo-2-nitro-phenylamine,4-bromo-2-nitrobenzeneamine,aniline, 4-bromo-2-nitro,4-bromo-2-nitrobenzenamine,1-amino-4-bromo-2-nitrobenzene,4-bromo-2-nitro-aniline
IUPAC Name	4-bromo-2-nitroaniline
InChI Key	ZCWBZRBJSPWUPG-UHFFFAOYSA-N
Molecular Formula	C6H5BrN2O2

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2-Fluoro-5-nitroaniline, 98%

CAS: 369-36-8 Molecular Formula: C₆H₅FN₂O₂ Molecular Weight (g/mol): 156.12 MDL Number: MFCD00007652 InChI Key: KJVBJICWGQIMOZ-UHFFFAOYSA-N Synonym: benzenamine, 2-fluoro-5-nitro,2-fluoro-5-nitrophenylamine,2-fluoro-5-nitro-phenylamine,1-amino-2-fluoro-5-nitrobenzene,2-fluoro-5-nitrobenzenamine,2-fluoro-5-nitro aniline,3-amino-4-fluoronitrobenzene,pubchem8504,acmc-1crtl,5-nitro-2-fluoroaniline PubChem CID: 67785 IUPAC Name: 2-fluoro-5-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])N)F

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Specifications

PubChem CID	67785
CAS	369-36-8
Molecular Weight (g/mol)	156.12
MDL Number	MFCD00007652
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])N)F
Synonym	benzenamine, 2-fluoro-5-nitro,2-fluoro-5-nitrophenylamine,2-fluoro-5-nitro-phenylamine,1-amino-2-fluoro-5-nitrobenzene,2-fluoro-5-nitrobenzenamine,2-fluoro-5-nitro aniline,3-amino-4-fluoronitrobenzene,pubchem8504,acmc-1crtl,5-nitro-2-fluoroaniline
IUPAC Name	2-fluoro-5-nitroaniline
InChI Key	KJVBJICWGQIMOZ-UHFFFAOYSA-N
Molecular Formula	C₆H₅FN₂O₂

Manganese(II) methoxide

CAS: 7245-20-7 Molecular Formula: C2H6MnO2 Molecular Weight (g/mol): 117.006 MDL Number: MFCD00061476 InChI Key: UQIRCVPINUNHQY-UHFFFAOYSA-N Synonym: manganese ii methoxide,acmc-20akkm,dimethoxymanganese ii,manganese ii bis methoxide,manganese 2+ bis methoxide,manganese 2+ ion bis methoxide PubChem CID: 10219413 IUPAC Name: manganese(2+);methanolate SMILES: C[O-].C[O-].[Mn+2]

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Specifications

PubChem CID	10219413
CAS	7245-20-7
Molecular Weight (g/mol)	117.006
MDL Number	MFCD00061476
SMILES	C[O-].C[O-].[Mn+2]
Synonym	manganese ii methoxide,acmc-20akkm,dimethoxymanganese ii,manganese ii bis methoxide,manganese 2+ bis methoxide,manganese 2+ ion bis methoxide
IUPAC Name	manganese(2+);methanolate
InChI Key	UQIRCVPINUNHQY-UHFFFAOYSA-N
Molecular Formula	C2H6MnO2

Titanium(IV) isopropoxide, 99.995% (metals basis)

CAS: 546-68-9 Molecular Formula: C12H28O4Ti Molecular Weight (g/mol): 284.219 MDL Number: MFCD00008871 InChI Key: VXUYXOFXAQZZMF-UHFFFAOYSA-N Synonym: titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate PubChem CID: 11026 IUPAC Name: propan-2-olate;titanium(4+) SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]

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Specifications

PubChem CID	11026
CAS	546-68-9
Molecular Weight (g/mol)	284.219
MDL Number	MFCD00008871
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ti+4]
Synonym	titanium tetraisopropanolate,titanium iv isopropoxide,tetraisopropyl orthotitanate,titanium isopropoxide,titanium tetraisopropylate,titanium isopropylate,ti isopropylate,tetraisopropoxytitanium iv,isopropyl orthotitanate,tetraisopropyl titanate
IUPAC Name	propan-2-olate;titanium(4+)
InChI Key	VXUYXOFXAQZZMF-UHFFFAOYSA-N
Molecular Formula	C12H28O4Ti

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2-Fluoro-4-nitroaniline, 95%

CAS: 369-35-7 Molecular Formula: C6H5FN2O2 Molecular Weight (g/mol): 156.116 MDL Number: MFCD00034560 InChI Key: LETNCFZQCNCACQ-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline PubChem CID: 101254 IUPAC Name: 2-fluoro-4-nitroaniline SMILES: C1=CC(=C(C=C1[N+](=O)[O-])F)N

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Specifications

PubChem CID	101254
CAS	369-35-7
Molecular Weight (g/mol)	156.116
MDL Number	MFCD00034560
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])F)N
Synonym	2-fluoro-4-nitrobenzenamine,2-fluoro-4-nitro-phenylamine,benzenamine, 2-fluoro-4-nitro,2-fluoro-4-nitrophenylamine,4-amino-3-fluoronitrobenzene,2-fluoro-4-nitroaniline,pubchem8503,acmc-1bncp,2-fluoro-4-niroaniline,2-fluoro-4-nitro-aniline
IUPAC Name	2-fluoro-4-nitroaniline
InChI Key	LETNCFZQCNCACQ-UHFFFAOYSA-N
Molecular Formula	C6H5FN2O2

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Titanium(IV) ethoxide, 33-35% TiO2

CAS: 3087-36-3 Molecular Formula: C₈H₂₀O₄Ti Molecular Weight (g/mol): 228.15 InChI Key: JMXKSZRRTHPKDL-UHFFFAOYSA-N Synonym: titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate PubChem CID: 76524 IUPAC Name: ethanolate;titanium(4+) SMILES: CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]

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PubChem CID	76524
CAS	3087-36-3
Molecular Weight (g/mol)	228.15
SMILES	CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]
Synonym	titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate
IUPAC Name	ethanolate;titanium(4+)
InChI Key	JMXKSZRRTHPKDL-UHFFFAOYSA-N
Molecular Formula	C₈H₂₀O₄Ti

Iron(III) isopropoxide, 2.5% w/v in isopropanol

CAS: 14995-22-3 Molecular Formula: C9H21FeO3 Molecular Weight (g/mol): 233.109 MDL Number: MFCD00070436 InChI Key: QUHDSMAREWXWFM-UHFFFAOYSA-N Synonym: iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe PubChem CID: 11961763 IUPAC Name: iron(3+);propan-2-olate SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]

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Specifications

PubChem CID	11961763
CAS	14995-22-3
Molecular Weight (g/mol)	233.109
MDL Number	MFCD00070436
SMILES	CC(C)[O-].CC(C)[O-].CC(C)[O-].[Fe+3]
Synonym	iron 3+ ;propan-2-olate,iron iii i-propoxide,triisopropoxyiron iii,2-propanol, iron 3+ salt 9ci,iron 3+ ion tris propan-2-olate,iron 3+ tris propan-2-olate,iron iii i-propoxide 99.9+%-fe
IUPAC Name	iron(3+);propan-2-olate
InChI Key	QUHDSMAREWXWFM-UHFFFAOYSA-N
Molecular Formula	C9H21FeO3

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5-Chloro-2-nitroaniline, 97%

CAS: 1635-61-6 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00007776 InChI Key: ZCWXYZBQDNFULS-UHFFFAOYSA-N Synonym: 2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline PubChem CID: 74218 IUPAC Name: 5-chloro-2-nitroaniline SMILES: C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]

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Specifications

PubChem CID	74218
CAS	1635-61-6
Molecular Weight (g/mol)	172.568
MDL Number	MFCD00007776
SMILES	C1=CC(=C(C=C1Cl)N)[N+](=O)[O-]
Synonym	2-nitro-5-chloroaniline,benzenamine, 5-chloro-2-nitro,3-chloro-6-nitroaniline,5-chloro-2-nitrobenzeneamine,aniline, 5-chloro-2-nitro,2-amino-4-chloro-nitrobenzene,unii-656xjm4con,5-chloro-2-nitrobenzenamine,ccris 8934,5-chloro-2-nitro aniline
IUPAC Name	5-chloro-2-nitroaniline
InChI Key	ZCWXYZBQDNFULS-UHFFFAOYSA-N
Molecular Formula	C6H5ClN2O2

4-chloro-2-nitroaniline, 99%

CAS: 89-63-4 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.57 MDL Number: MFCD00007836 InChI Key: PBGKNXWGYQPUJK-UHFFFAOYSA-N Synonym: benzenamine, 4-chloro-2-nitro,p-chloro-o-nitroaniline,pcon,2-nitro-4-chloroaniline,red salt nbgl,devol red f,devol red salt f,red base ciba vi,red base irga vi,red salt ciba vi PubChem CID: 6979 IUPAC Name: 4-chloro-2-nitroaniline SMILES: NC1=CC=C(Cl)C=C1[N+]([O-])=O

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Specifications

PubChem CID	6979
CAS	89-63-4
Molecular Weight (g/mol)	172.57
MDL Number	MFCD00007836
SMILES	NC1=CC=C(Cl)C=C1[N+]([O-])=O
Synonym	benzenamine, 4-chloro-2-nitro,p-chloro-o-nitroaniline,pcon,2-nitro-4-chloroaniline,red salt nbgl,devol red f,devol red salt f,red base ciba vi,red base irga vi,red salt ciba vi
IUPAC Name	4-chloro-2-nitroaniline
InChI Key	PBGKNXWGYQPUJK-UHFFFAOYSA-N
Molecular Formula	C6H5ClN2O2

Antimony(III) ethoxide, 99.9% (metals basis)

CAS: 10433-06-4 Molecular Formula: C6H15O3Sb Molecular Weight (g/mol): 256.943 MDL Number: MFCD00015123 InChI Key: JGOJQVLHSPGMOC-UHFFFAOYSA-N Synonym: antimony triethoxide,triethoxyantimony,acmc-20alrx,sb oet 3,antimony iii ethoxide,antimony 3+ ; ethanolate,ethanol, antimony 3+ salt 9ci,antimony 3+ tris ethoxide,antimony 3+ ion tris ethoxide PubChem CID: 66326 IUPAC Name: antimony(3+);ethanolate SMILES: CC[O-].CC[O-].CC[O-].[Sb+3]

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Specifications

PubChem CID	66326
CAS	10433-06-4
Molecular Weight (g/mol)	256.943
MDL Number	MFCD00015123
SMILES	CC[O-].CC[O-].CC[O-].[Sb+3]
Synonym	antimony triethoxide,triethoxyantimony,acmc-20alrx,sb oet 3,antimony iii ethoxide,antimony 3+ ; ethanolate,ethanol, antimony 3+ salt 9ci,antimony 3+ tris ethoxide,antimony 3+ ion tris ethoxide
IUPAC Name	antimony(3+);ethanolate
InChI Key	JGOJQVLHSPGMOC-UHFFFAOYSA-N
Molecular Formula	C6H15O3Sb

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Titanium(IV) ethoxide

CAS: 3087-36-3 Molecular Formula: C₈H₂₀O₄Ti Molecular Weight (g/mol): 228.15 MDL Number: MFCD00009071 InChI Key: JMXKSZRRTHPKDL-UHFFFAOYSA-N Synonym: titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate PubChem CID: 76524 IUPAC Name: ethanolate;titanium(4+) SMILES: CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]

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Specifications

PubChem CID	76524
CAS	3087-36-3
Molecular Weight (g/mol)	228.15
MDL Number	MFCD00009071
SMILES	CC[O-].CC[O-].CC[O-].CC[O-].[Ti+4]
Synonym	titanium iv ethoxide,ethyl titanate,titanium tetraethoxide,titanium ethoxide,tetraethyl titanate,titanium iv ethanolate,titanium 4+ tetraethanolate,titanium 4+ ethanolate
IUPAC Name	ethanolate;titanium(4+)
InChI Key	JMXKSZRRTHPKDL-UHFFFAOYSA-N
Molecular Formula	C₈H₂₀O₄Ti

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3-Nitro-o-phenylenediamine, 98%

CAS: 3694-52-8 Molecular Formula: C₆H₇N₃O₂ Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007722 InChI Key: IOCXBXZBNOYTLQ-UHFFFAOYSA-N Synonym: 3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427 PubChem CID: 4359525 IUPAC Name: 3-nitrobenzene-1,2-diamine SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])N)N

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Specifications

PubChem CID	4359525
CAS	3694-52-8
Molecular Weight (g/mol)	153.14
MDL Number	MFCD00007722
SMILES	C1=CC(=C(C(=C1)[N+](=O)[O-])N)N
Synonym	3-nitro-1,2-phenylenediamine,3-nitro-o-phenylenediamine,1,2-diamino-3-nitrobenzene,3-nitrophenylenediamine,2-amino-6-nitroaniline,1,2-benzenediamine, 3-nitro,3-nitro-1,2-benzenediamine,o-phenylenediamine, 3-nitro,unii-wrz63l50zk,ccris 5427
IUPAC Name	3-nitrobenzene-1,2-diamine
InChI Key	IOCXBXZBNOYTLQ-UHFFFAOYSA-N
Molecular Formula	C₆H₇N₃O₂

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5-Nitrobenzimidazole, 98+%

CAS: 94-52-0 Molecular Formula: C7H5N3O2 Molecular Weight (g/mol): 163.14 MDL Number: MFCD00005604 InChI Key: XPAZGLFMMUODDK-UHFFFAOYSA-N Synonym: 5-nitrobenzimidazole,6-nitrobenzimidazole,5-nitro-1h-benzo d imidazole,5-nitro-1h-benzimidazole,1h-benzimidazole, 5-nitro,1h-benzimidazole, 6-nitro,6-nitro-benzimidazole,5 6-nitrobenzimidazole,benzimidazole, 5-nitro,benzimidazole, 6-nitro PubChem CID: 7195 IUPAC Name: 6-nitro-1H-benzimidazole SMILES: [O-][N+](=O)C1=CC=C2N=CNC2=C1

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Specifications

PubChem CID	7195
CAS	94-52-0
Molecular Weight (g/mol)	163.14
MDL Number	MFCD00005604
SMILES	[O-][N+](=O)C1=CC=C2N=CNC2=C1
Synonym	5-nitrobenzimidazole,6-nitrobenzimidazole,5-nitro-1h-benzo d imidazole,5-nitro-1h-benzimidazole,1h-benzimidazole, 5-nitro,1h-benzimidazole, 6-nitro,6-nitro-benzimidazole,5 6-nitrobenzimidazole,benzimidazole, 5-nitro,benzimidazole, 6-nitro
IUPAC Name	6-nitro-1H-benzimidazole
InChI Key	XPAZGLFMMUODDK-UHFFFAOYSA-N
Molecular Formula	C7H5N3O2

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3-Chloro-4-nitroaniline, 95%

CAS: 825-41-2 Molecular Formula: C6H5ClN2O2 Molecular Weight (g/mol): 172.568 MDL Number: MFCD00085922 InChI Key: LDSIOPGMLLPSSR-UHFFFAOYSA-N Synonym: benzenamine, 3-chloro-4-nitro,aniline, 3-chloro-4-nitro,3-chlor-4-nitroanilin,3-chloro-4-nitrobenzenamine,zlchem 908,pubchem9594,acmc-209ppd,2-chloro-4-aminonitrobenzene,4-amino-2-chloronitrobenzene,3-chloro-4-nitro-phenylamine PubChem CID: 69996 IUPAC Name: 3-chloro-4-nitroaniline SMILES: C1=CC(=C(C=C1N)Cl)[N+](=O)[O-]

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Specifications

PubChem CID	69996
CAS	825-41-2
Molecular Weight (g/mol)	172.568
MDL Number	MFCD00085922
SMILES	C1=CC(=C(C=C1N)Cl)[N+](=O)[O-]
Synonym	benzenamine, 3-chloro-4-nitro,aniline, 3-chloro-4-nitro,3-chlor-4-nitroanilin,3-chloro-4-nitrobenzenamine,zlchem 908,pubchem9594,acmc-209ppd,2-chloro-4-aminonitrobenzene,4-amino-2-chloronitrobenzene,3-chloro-4-nitro-phenylamine
IUPAC Name	3-chloro-4-nitroaniline
InChI Key	LDSIOPGMLLPSSR-UHFFFAOYSA-N
Molecular Formula	C6H5ClN2O2

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4-chloro-5-nitro-o-phenylenediamine, 98%

CAS: 67073-39-6 Molecular Formula: C6H6ClN3O2 Molecular Weight (g/mol): 187.58 MDL Number: MFCD03427594 InChI Key: LOQLMWFVXRZASN-UHFFFAOYSA-N Synonym: 4-chloro-5-nitro-o-phenylenediamine,4-chloro-5-nitro-1,2-benzenediamine,5-chloro-4-nitrobenzene-1,2-diamine,4-chloro-5-nitro-1,2-phenylenediamine,4-chloro-5-nitro-benzene-1,2-diamine,1,2-benzenediamine, 4-chloro-5-nitro PubChem CID: 5702618 IUPAC Name: 4-chloro-5-nitrobenzene-1,2-diamine SMILES: NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O

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Specifications

PubChem CID	5702618
CAS	67073-39-6
Molecular Weight (g/mol)	187.58
MDL Number	MFCD03427594
SMILES	NC1=CC(Cl)=C(C=C1N)[N+]([O-])=O
Synonym	4-chloro-5-nitro-o-phenylenediamine,4-chloro-5-nitro-1,2-benzenediamine,5-chloro-4-nitrobenzene-1,2-diamine,4-chloro-5-nitro-1,2-phenylenediamine,4-chloro-5-nitro-benzene-1,2-diamine,1,2-benzenediamine, 4-chloro-5-nitro
IUPAC Name	4-chloro-5-nitrobenzene-1,2-diamine
InChI Key	LOQLMWFVXRZASN-UHFFFAOYSA-N
Molecular Formula	C6H6ClN3O2

Organic zwitterions

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