Nitrobenzoic acids and derivatives

Organic compounds that consist of benzoic acid with a nitro group substitution; a nitro group has a nitrogen atom bonded to two oxygen groups in a single and a double bond. Includes compounds that are directly derived from nitrobenzoic acid.

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106 – 120 of 1,060 results

106

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5-Nitrosalicylic acid, 98%

CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O

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PubChem CID	7318
CAS	96-97-9
Molecular Weight (g/mol)	183.119
ChEBI	CHEBI:61281
MDL Number	MFCD00007338
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
Synonym	5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid
InChI Key	PPDRLQLKHRZIJC-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

107

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5-Hydroxy-2-nitrobenzoic acid, 99%

CAS: 610-37-7 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00017566 InChI Key: BUHKQTKKZAXSMH-UHFFFAOYSA-N PubChem CID: 11882 SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]

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PubChem CID	11882
CAS	610-37-7
Molecular Weight (g/mol)	183.119
MDL Number	MFCD00017566
SMILES	C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
InChI Key	BUHKQTKKZAXSMH-UHFFFAOYSA-N
Molecular Formula	C7H5NO5

108

3-Methyl-4-nitrobenzoic acid, 99%

CAS: 3113-71-1 Molecular Formula: C₈H₇NO₄ Molecular Weight (g/mol): 181.15 MDL Number: MFCD00007168 InChI Key: XDTTUTIFWDAMIX-UHFFFAOYSA-N PubChem CID: 18370 SMILES: CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]

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PubChem CID	18370
CAS	3113-71-1
Molecular Weight (g/mol)	181.15
MDL Number	MFCD00007168
SMILES	CC1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]
InChI Key	XDTTUTIFWDAMIX-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₄

109

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5-Methoxy-2-nitrobenzoic acid, 97%

CAS: 1882-69-5 Molecular Formula: C8H6NO5 Molecular Weight (g/mol): 196.14 MDL Number: MFCD00151836 InChI Key: URADKXVAIGMTEG-UHFFFAOYSA-M Synonym: 5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid PubChem CID: 339209 IUPAC Name: 5-methoxy-2-nitrobenzoate SMILES: COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O

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PubChem CID	339209
CAS	1882-69-5
Molecular Weight (g/mol)	196.14
MDL Number	MFCD00151836
SMILES	COC1=CC=C(C(=C1)C([O-])=O)[N+]([O-])=O
Synonym	5-methoxy-2-nitrobenzoic acid,2-nitro-5-methoxybenzoic acid,6-nitro-m-anisic acid,5-methoxy-2-nitro-benzoic acid,benzoic acid, 5-methoxy-2-nitro,pubchem4229,acmc-1brd6,2-nitro-5-methoxybenzoate,2-nitro-5-methoxybenzoicacid,5-methoxy-2-nitrobenzoicacid
IUPAC Name	5-methoxy-2-nitrobenzoate
InChI Key	URADKXVAIGMTEG-UHFFFAOYSA-M
Molecular Formula	C8H6NO5

110

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4-Bromomethyl-3-nitrobenzoic acid, 97%

CAS: 55715-03-2 Molecular Formula: C8H6BrNO4 Molecular Weight (g/mol): 260.043 MDL Number: MFCD00216575 InChI Key: QMAHVAFURJBOFV-UHFFFAOYSA-N Synonym: 4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid PubChem CID: 132386 SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr

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PubChem CID	132386
CAS	55715-03-2
Molecular Weight (g/mol)	260.043
MDL Number	MFCD00216575
SMILES	C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])CBr
Synonym	4-bromomethyl-3-nitrobenzoic acid,4-bromomethyl-3-nitrobenzoicacid,benzoic acid, 4-bromomethyl-3-nitro,3-nitro-4-bromomethylbenzoic acid,bnba,acmc-1auor,ksc495i9f,3-nitro-4-bromomethyl benzoic acid,4-bromomethyl-3-nitro benzoic acid
InChI Key	QMAHVAFURJBOFV-UHFFFAOYSA-N
Molecular Formula	C8H6BrNO4

111

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4-Bromo-2-nitrobenzoic acid, 97%

CAS: 99277-71-1 Molecular Formula: C7H3BrNO4 Molecular Weight (g/mol): 245.01 MDL Number: MFCD01013599 InChI Key: ZIRHHEZLJGORGU-UHFFFAOYSA-M Synonym: 4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42- PubChem CID: 3774467 IUPAC Name: 4-bromo-2-nitrobenzoate SMILES: [O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O

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PubChem CID	3774467
CAS	99277-71-1
Molecular Weight (g/mol)	245.01
MDL Number	MFCD01013599
SMILES	[O-]C(=O)C1=CC=C(Br)C=C1[N+]([O-])=O
Synonym	4-bromo-2-nitrobenzoic acid,4-bromo-2-nitro-benzoic acid,2-nitro-4-bromobenzoic acid,5-bromo-2-carboxynitrobenzene,benzoic acid, 4-bromo-2-nitro,4-bromo-2-nitrobenzoicacid,pubchem2055,4-bromo-2-nitrobenzoic,acmc-209sc4,bromonitrobenzoicacid 42-
IUPAC Name	4-bromo-2-nitrobenzoate
InChI Key	ZIRHHEZLJGORGU-UHFFFAOYSA-M
Molecular Formula	C7H3BrNO4

112

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Methyl 2-fluoro-5-nitrobenzoate, 98%

CAS: 2965-22-2 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.137 MDL Number: MFCD06203689 InChI Key: JZLONOOYIXEAHM-UHFFFAOYSA-N Synonym: methyl 2-fluoro-5-nitrobenzenecarboxylate,2-fluoro-5-nitrobenzoic acid methyl ester,5-nitro-2-fluorobenzoic acid methyl ester,benzoicacid, 2-fluoro-5-nitro-, methyl ester,benzoic acid, 2-fluoro-5-nitro-, methyl ester,methyl 2-fluoro-5-nitro-benzoate,acmc-209ha6,ksc563m1n,methyl2-fluoro-5-nitrobenzoate,4-fluoro-3-methoxycarbonyl nitrobenzene PubChem CID: 11217860 IUPAC Name: methyl 2-fluoro-5-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F

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PubChem CID	11217860
CAS	2965-22-2
Molecular Weight (g/mol)	199.137
MDL Number	MFCD06203689
SMILES	COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
Synonym	methyl 2-fluoro-5-nitrobenzenecarboxylate,2-fluoro-5-nitrobenzoic acid methyl ester,5-nitro-2-fluorobenzoic acid methyl ester,benzoicacid, 2-fluoro-5-nitro-, methyl ester,benzoic acid, 2-fluoro-5-nitro-, methyl ester,methyl 2-fluoro-5-nitro-benzoate,acmc-209ha6,ksc563m1n,methyl2-fluoro-5-nitrobenzoate,4-fluoro-3-methoxycarbonyl nitrobenzene
IUPAC Name	methyl 2-fluoro-5-nitrobenzoate
InChI Key	JZLONOOYIXEAHM-UHFFFAOYSA-N
Molecular Formula	C8H6FNO4

113

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2-Chloro-6-nitrobenzoic acid, 99%

CAS: 5344-49-0 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.562 MDL Number: MFCD00100425 InChI Key: JYHOMEFOTKWQPN-UHFFFAOYSA-N Synonym: 2-chloro-6-nitrobenzoic acid,2-chloro-6-nitro-benzoic acid,6-chloro-2-nitrobenzoic acid,benzoic acid, 2-chloro-6-nitro,pubchem20037,6-chloro-2-nitrobenzo,acmc-209l7b,2-chloro-6-nitrobenzoicacid,2-carboxy-3-chloronitrobenzene,2-chloro-6-nitrobenzoic acid # PubChem CID: 79287 SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]

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PubChem CID	79287
CAS	5344-49-0
Molecular Weight (g/mol)	201.562
MDL Number	MFCD00100425
SMILES	C1=CC(=C(C(=C1)Cl)C(=O)O)[N+](=O)[O-]
Synonym	2-chloro-6-nitrobenzoic acid,2-chloro-6-nitro-benzoic acid,6-chloro-2-nitrobenzoic acid,benzoic acid, 2-chloro-6-nitro,pubchem20037,6-chloro-2-nitrobenzo,acmc-209l7b,2-chloro-6-nitrobenzoicacid,2-carboxy-3-chloronitrobenzene,2-chloro-6-nitrobenzoic acid #
InChI Key	JYHOMEFOTKWQPN-UHFFFAOYSA-N
Molecular Formula	C7H4ClNO4

114

MilliporeSigma™ 5,5'-Dithio-bis-(2-nitrobenzoic Acid), Calbiochem™,

CAS: 69-78-3 Molecular Formula: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 MDL Number: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Synonym: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O

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PubChem CID	6254
CAS	69-78-3
Molecular Weight (g/mol)	396.34
ChEBI	CHEBI:86228
MDL Number	MFCD00007140
SMILES	OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
Synonym	dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid
IUPAC Name	5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid
InChI Key	KIUMMUBSPKGMOY-UHFFFAOYSA-N
Molecular Formula	C14H8N2O8S2

115

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Ethyl 3-nitrobenzoate, 98+%

CAS: 618-98-4 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD00014702 InChI Key: MKBIJCPQTPFQKQ-UHFFFAOYSA-N Synonym: ethyl m-nitrobenzoate,benzoic acid, 3-nitro-, ethyl ester,ethyl-m-nitrobenzoate,m-nitrobenzoic acid, ethyl ester,benzoic acid, m-nitro-, ethyl ester,acmc-20akzc,3-nitrobenzoic acid ethyl,benzoic acid, 3-nitro-,ethyl ester,benzoic acid, m-nitro-, ethyl ester 8ci,r---2-2-diphenylphosphino phenyl-4-phenyl-2-oxazoline PubChem CID: 69261 IUPAC Name: ethyl 3-nitrobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

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PubChem CID	69261
CAS	618-98-4
Molecular Weight (g/mol)	195.174
MDL Number	MFCD00014702
SMILES	CCOC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Synonym	ethyl m-nitrobenzoate,benzoic acid, 3-nitro-, ethyl ester,ethyl-m-nitrobenzoate,m-nitrobenzoic acid, ethyl ester,benzoic acid, m-nitro-, ethyl ester,acmc-20akzc,3-nitrobenzoic acid ethyl,benzoic acid, 3-nitro-,ethyl ester,benzoic acid, m-nitro-, ethyl ester 8ci,r---2-2-diphenylphosphino phenyl-4-phenyl-2-oxazoline
IUPAC Name	ethyl 3-nitrobenzoate
InChI Key	MKBIJCPQTPFQKQ-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

116

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4-Fluoro-3-nitro-5-(trifluoromethyl)benzoic acid, 97%

CAS: 878572-17-9 Molecular Formula: C8H3F4NO4 Molecular Weight (g/mol): 253.109 MDL Number: MFCD08282778 InChI Key: XCZRYPKVIJEHSU-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl PubChem CID: 24721083 IUPAC Name: 4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid SMILES: C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O

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PubChem CID	24721083
CAS	878572-17-9
Molecular Weight (g/mol)	253.109
MDL Number	MFCD08282778
SMILES	C1=C(C=C(C(=C1C(F)(F)F)F)[N+](=O)[O-])C(=O)O
Synonym	4-fluoro-3-nitro-5-trifluoromethyl benzoic acid,benzoic acid,4-fluoro-3-nitro-5-trifluoromethyl
IUPAC Name	4-fluoro-3-nitro-5-(trifluoromethyl)benzoic acid
InChI Key	XCZRYPKVIJEHSU-UHFFFAOYSA-N
Molecular Formula	C8H3F4NO4

117

2-Amino-4-nitrobenzoic acid, 97%

CAS: 619-17-0 Molecular Formula: C7H6N2O4 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00007262 InChI Key: UEALKTCRMBVTFN-UHFFFAOYSA-N Synonym: 2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891 PubChem CID: 12076 ChEBI: CHEBI:75335 IUPAC Name: 2-amino-4-nitrobenzoic acid SMILES: NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O

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PubChem CID	12076
CAS	619-17-0
Molecular Weight (g/mol)	182.14
ChEBI	CHEBI:75335
MDL Number	MFCD00007262
SMILES	NC1=CC(=CC=C1C(O)=O)[N+]([O-])=O
Synonym	2-amino-4-nitrobenzoic acid,4-nitroanthranilic acid,benzoic acid, 2-amino-4-nitro,2-amino-4-nitrobenzoicacid,anthranilic acid, 4-nitro,ccris 441,2-amino-4-nitro-benzoic acid,4-nitro-2-aminobenzoic acid,dsstox_cid_963,dsstox_rid_75891
IUPAC Name	2-amino-4-nitrobenzoic acid
InChI Key	UEALKTCRMBVTFN-UHFFFAOYSA-N
Molecular Formula	C7H6N2O4

118

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4-Nitrophthalic acid, 99%

CAS: 610-27-5 Molecular Formula: C₈H₅NO₆ Molecular Weight (g/mol): 211.13 InChI Key: SLBQXWXKPNIVSQ-UHFFFAOYSA-N Synonym: 4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8 PubChem CID: 69121 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O

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PubChem CID	69121
CAS	610-27-5
Molecular Weight (g/mol)	211.13
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)O
Synonym	4-nitrophthalic acid,5-nitrophthalic acid,4-nitrobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-nitro,phthalic acid, 4-nitro,4-nitrophthalicacid,p-nitrophthalic acid,4-nitro-phthalic acid,acmc-209mo8
InChI Key	SLBQXWXKPNIVSQ-UHFFFAOYSA-N
Molecular Formula	C₈H₅NO₆

119

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Methyl 2-methyl-3-nitrobenzoate, 97%

CAS: 59382-59-1 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00082564 InChI Key: CRZGFIMLHZTLGT-UHFFFAOYSA-N Synonym: benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate PubChem CID: 601165 IUPAC Name: methyl 2-methyl-3-nitrobenzoate SMILES: COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O

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Specifications

PubChem CID	601165
CAS	59382-59-1
Molecular Weight (g/mol)	195.17
MDL Number	MFCD00082564
SMILES	COC(=O)C1=CC=CC(=C1C)[N+]([O-])=O
Synonym	benzoic acid, 2-methyl-3-nitro-, methyl ester,methyl 3-nitro-o-toluate,2-methyl-3-nitrobenzoic acid methyl ester,methyl 3-nitro-2-methylbenzoate,3-nitro-o-toluic acid methyl ester,2-methyl-3-nitromethylbenzoate,pubchem10933,acmc-1awh8,ksc495s1j,methyl2-methyl-3-nitrobenzoate
IUPAC Name	methyl 2-methyl-3-nitrobenzoate
InChI Key	CRZGFIMLHZTLGT-UHFFFAOYSA-N
Molecular Formula	C9H9NO4

120

2-Nitro-4-(trifluoromethyl)benzoic acid, 98%

CAS: 320-94-5 Molecular Formula: C8H4F3NO4 Molecular Weight (g/mol): 235.118 MDL Number: MFCD00007142 InChI Key: MYSAXQPTXWKDPQ-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa PubChem CID: 642096 SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O

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Specifications

PubChem CID	642096
CAS	320-94-5
Molecular Weight (g/mol)	235.118
MDL Number	MFCD00007142
SMILES	C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(=O)O
Synonym	2-nitro-4-trifluoromethyl benzoic acid,2-nitro-4-trifluoromethylbenzoic acid,ntfa,4-trifluoromethyl-2-nitrobenzoic acid,benzoic acid, 2-nitro-4-trifluoromethyl,unii-k9m35sv4p3,2-nitro-4-trifluoromethyl-benzoic acid,pubchem4539,acmc-1ahai,2ntf-boa
InChI Key	MYSAXQPTXWKDPQ-UHFFFAOYSA-N
Molecular Formula	C8H4F3NO4

Nitrobenzoic acids and derivatives

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