Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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571 – 585 of 57,364 results

571

Methyl 2-bromo-3-methylbenzoate, 98%

CAS: 131001-86-0 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00144762 InChI Key: QAOFGUXVDAZKBW-UHFFFAOYSA-N Synonym: 2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h PubChem CID: 10823279 IUPAC Name: methyl 2-bromo-3-methylbenzoate SMILES: COC(=O)C1=C(Br)C(C)=CC=C1

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Specifications

PubChem CID	10823279
CAS	131001-86-0
Molecular Weight (g/mol)	229.07
MDL Number	MFCD00144762
SMILES	COC(=O)C1=C(Br)C(C)=CC=C1
Synonym	2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h
IUPAC Name	methyl 2-bromo-3-methylbenzoate
InChI Key	QAOFGUXVDAZKBW-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

572

4-Chloro-3-methoxyaniline, 98%

CAS: 13726-14-2 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.60 MDL Number: MFCD00672967 InChI Key: LNKBDFVSILQKSI-UHFFFAOYSA-N Synonym: 3-methoxy-4-chloroaniline,4-chloro-3-methoxyphenylamine,4-chloro-m-anisidine,2-chloro-5-aminoanisole,5-amino-2-chloroanisole,4-chloro-3-methoxy aniline,4-chloro-3-methoxy-phenylamine,benzenamine, 4-chloro-3-methoxy,pubchem3659,acmc-1chua PubChem CID: 13103692 IUPAC Name: 4-chloro-3-methoxyaniline SMILES: COC1=C(Cl)C=CC(N)=C1

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Specifications

PubChem CID	13103692
CAS	13726-14-2
Molecular Weight (g/mol)	157.60
MDL Number	MFCD00672967
SMILES	COC1=C(Cl)C=CC(N)=C1
Synonym	3-methoxy-4-chloroaniline,4-chloro-3-methoxyphenylamine,4-chloro-m-anisidine,2-chloro-5-aminoanisole,5-amino-2-chloroanisole,4-chloro-3-methoxy aniline,4-chloro-3-methoxy-phenylamine,benzenamine, 4-chloro-3-methoxy,pubchem3659,acmc-1chua
IUPAC Name	4-chloro-3-methoxyaniline
InChI Key	LNKBDFVSILQKSI-UHFFFAOYSA-N
Molecular Formula	C7H8ClNO

573

3-[3-(Dimethylamino)propoxy]-N-methylbenzylamine, 97%, Thermo Scientific™

CAS: 910037-03-5 Molecular Formula: C13H22N2O Molecular Weight (g/mol): 222.33 MDL Number: MFCD09064992 InChI Key: ODWHICGCLWFLBT-UHFFFAOYSA-N Synonym: 3-3-dimethylamino propoxy-n-methylbenzylamine,dimethyl 3-3-methylamino methyl phenoxy propyl amine,3-3-dimethylamino propoxy phenyl methyl methyl amine,n,n-dimethyl-3-3-methylamino methyl phenoxy propan-1-amine,benzenemethanamine, 3-3-dimethylamino propoxy-n-methyl,benzenemethanamine,3-3-dimethylamino propoxy-n-methyl PubChem CID: 24229606 IUPAC Name: N,N-dimethyl-3-[3-(methylaminomethyl)phenoxy]propan-1-amine SMILES: CNCC1=CC(OCCCN(C)C)=CC=C1

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Specifications

PubChem CID	24229606
CAS	910037-03-5
Molecular Weight (g/mol)	222.33
MDL Number	MFCD09064992
SMILES	CNCC1=CC(OCCCN(C)C)=CC=C1
Synonym	3-3-dimethylamino propoxy-n-methylbenzylamine,dimethyl 3-3-methylamino methyl phenoxy propyl amine,3-3-dimethylamino propoxy phenyl methyl methyl amine,n,n-dimethyl-3-3-methylamino methyl phenoxy propan-1-amine,benzenemethanamine, 3-3-dimethylamino propoxy-n-methyl,benzenemethanamine,3-3-dimethylamino propoxy-n-methyl
IUPAC Name	N,N-dimethyl-3-[3-(methylaminomethyl)phenoxy]propan-1-amine
InChI Key	ODWHICGCLWFLBT-UHFFFAOYSA-N
Molecular Formula	C13H22N2O

574

5-chloro-2-fluorophenyl isothiocyanate, 97%, Thermo Scientific™

CAS: 247170-25-8 Molecular Formula: C7H3ClFNS Molecular Weight (g/mol): 187.616 MDL Number: MFCD01313224 InChI Key: RUASREJPMXNHLF-UHFFFAOYSA-N Synonym: 5-chloro-2-fluorophenyl isothiocyanate,5-chloro-2-fluorophenylisothiocyanate,3-chloro-6-fluorophenylisothiocyanate,5-chloro-2-fluorobenzenisothiocyanate,benzene,4-chloro-1-fluoro-2-isothiocyanato,4-chloranyl-1-fluoranyl-2-isothiocyanato-benzene,benzene, 4-chloro-1-fluoro-2-isothiocyanato-9ci PubChem CID: 2736579 IUPAC Name: 4-chloro-1-fluoro-2-isothiocyanatobenzene SMILES: C1=CC(=C(C=C1Cl)N=C=S)F

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Specifications

PubChem CID	2736579
CAS	247170-25-8
Molecular Weight (g/mol)	187.616
MDL Number	MFCD01313224
SMILES	C1=CC(=C(C=C1Cl)N=C=S)F
Synonym	5-chloro-2-fluorophenyl isothiocyanate,5-chloro-2-fluorophenylisothiocyanate,3-chloro-6-fluorophenylisothiocyanate,5-chloro-2-fluorobenzenisothiocyanate,benzene,4-chloro-1-fluoro-2-isothiocyanato,4-chloranyl-1-fluoranyl-2-isothiocyanato-benzene,benzene, 4-chloro-1-fluoro-2-isothiocyanato-9ci
IUPAC Name	4-chloro-1-fluoro-2-isothiocyanatobenzene
InChI Key	RUASREJPMXNHLF-UHFFFAOYSA-N
Molecular Formula	C7H3ClFNS

575

3-(Benzylamino)propionitrile, 97+%

CAS: 706-03-6 Molecular Formula: C10H13N2 Molecular Weight (g/mol): 161.23 MDL Number: MFCD00001955 InChI Key: MWTGBAURSCEGSL-UHFFFAOYSA-O Synonym: 3-benzylamino propanenitrile,3-benzylamino propionitrile,n-benzyl-2-cyanoethylamine,propanenitrile, 3-phenylmethyl amino,a-cyanoethyl benzylamine,beta-cyanoethylbenzylamine,acmc-1bk6i,3-benzylamino-propionitrile PubChem CID: 69719 IUPAC Name: 3-(benzylamino)propanenitrile SMILES: N#CCC[NH2+]CC1=CC=CC=C1

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Specifications

PubChem CID	69719
CAS	706-03-6
Molecular Weight (g/mol)	161.23
MDL Number	MFCD00001955
SMILES	N#CCC[NH2+]CC1=CC=CC=C1
Synonym	3-benzylamino propanenitrile,3-benzylamino propionitrile,n-benzyl-2-cyanoethylamine,propanenitrile, 3-phenylmethyl amino,a-cyanoethyl benzylamine,beta-cyanoethylbenzylamine,acmc-1bk6i,3-benzylamino-propionitrile
IUPAC Name	3-(benzylamino)propanenitrile
InChI Key	MWTGBAURSCEGSL-UHFFFAOYSA-O
Molecular Formula	C10H13N2

576

4-Chlorobenzhydrol, 98%

CAS: 119-56-2 Molecular Formula: C13H11ClO Molecular Weight (g/mol): 218.68 MDL Number: MFCD00004491 InChI Key: AJYOOHCNOXWTKJ-UHFFFAOYSA-N Synonym: 4-chlorobenzhydrol,4-chlorophenyl phenyl methanol,p-chlorobenzhydrol,chlorobenzhydrol,benzhydrol, p-chloro,4-chlorodiphenylmethanol,benzhydrol, 4-chloro,4-chlorophenyl phenylmethanol,4-chlorobenzhydryl alcohol,benzenemethanol, 4-chloro-.alpha.-phenyl PubChem CID: 8401 ChEBI: CHEBI:35091 IUPAC Name: (4-chlorophenyl)-phenylmethanol SMILES: C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O

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Specifications

PubChem CID	8401
CAS	119-56-2
Molecular Weight (g/mol)	218.68
ChEBI	CHEBI:35091
MDL Number	MFCD00004491
SMILES	C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O
Synonym	4-chlorobenzhydrol,4-chlorophenyl phenyl methanol,p-chlorobenzhydrol,chlorobenzhydrol,benzhydrol, p-chloro,4-chlorodiphenylmethanol,benzhydrol, 4-chloro,4-chlorophenyl phenylmethanol,4-chlorobenzhydryl alcohol,benzenemethanol, 4-chloro-.alpha.-phenyl
IUPAC Name	(4-chlorophenyl)-phenylmethanol
InChI Key	AJYOOHCNOXWTKJ-UHFFFAOYSA-N
Molecular Formula	C13H11ClO

577

4-(Methylsulfonyl)phenol, 95%, Thermo Scientific™

CAS: 14763-60-1 Molecular Formula: C7H8O3S Molecular Weight (g/mol): 172.20 MDL Number: MFCD00047806 InChI Key: KECCFSZFXLAGJS-UHFFFAOYSA-N Synonym: 4-methylsulfonyl phenol,4-methanesulfonylphenol,4-methanesulfonyl-phenol,4-hydroxyphenyl methyl sulfone,4-methylsulphonylphenol,phenol, p-methylsulfonyl,phenol, 4-methylsulfonyl,p-hydroxyphenyl methyl sulfone,p-methylsulfonyl phenol,unii-f7bif7zqj9 PubChem CID: 123350 IUPAC Name: 4-methylsulfonylphenol SMILES: CS(=O)(=O)C1=CC=C(O)C=C1

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Specifications

PubChem CID	123350
CAS	14763-60-1
Molecular Weight (g/mol)	172.20
MDL Number	MFCD00047806
SMILES	CS(=O)(=O)C1=CC=C(O)C=C1
Synonym	4-methylsulfonyl phenol,4-methanesulfonylphenol,4-methanesulfonyl-phenol,4-hydroxyphenyl methyl sulfone,4-methylsulphonylphenol,phenol, p-methylsulfonyl,phenol, 4-methylsulfonyl,p-hydroxyphenyl methyl sulfone,p-methylsulfonyl phenol,unii-f7bif7zqj9
IUPAC Name	4-methylsulfonylphenol
InChI Key	KECCFSZFXLAGJS-UHFFFAOYSA-N
Molecular Formula	C7H8O3S

578

Bifonazole, 98%, Thermo Scientific™

CAS: 60628-96-8 Molecular Formula: C₂₂H₁₈N₂ Molecular Weight (g/mol): 310.39 InChI Key: OCAPBUJLXMYKEJ-UHFFFAOYSA-N Synonym: bifonazole,mycospor,trifonazole,bifonazol,bifonazolum,amycor,azolmen,bifonazol inn-spanish,bifonazolum inn-latin,1-4-biphenylyl phenylmethyl-1h-imidazole PubChem CID: 2378 ChEBI: CHEBI:78692 IUPAC Name: 1-[phenyl-(4-phenylphenyl)methyl]imidazole SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4

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Specifications

PubChem CID	2378
CAS	60628-96-8
Molecular Weight (g/mol)	310.39
ChEBI	CHEBI:78692
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)N4C=CN=C4
Synonym	bifonazole,mycospor,trifonazole,bifonazol,bifonazolum,amycor,azolmen,bifonazol inn-spanish,bifonazolum inn-latin,1-4-biphenylyl phenylmethyl-1h-imidazole
IUPAC Name	1-[phenyl-(4-phenylphenyl)methyl]imidazole
InChI Key	OCAPBUJLXMYKEJ-UHFFFAOYSA-N
Molecular Formula	C₂₂H₁₈N₂

579

2-Bromo-4-methylbenzaldehyde, 95%

CAS: 824-54-4 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.05 MDL Number: MFCD04039890 InChI Key: MUZMDYCVUCMIDC-UHFFFAOYSA-N Synonym: benzaldehyde, 2-bromo-4-methyl,acmc-209pp2,ksc497q8b,tpc-i119,2-2-methoxyphenyl-2-methylamino cyclohexanone,2-bromo-4-methylbenzaldehyde, technical grade PubChem CID: 4645292 IUPAC Name: 2-bromo-4-methylbenzaldehyde SMILES: CC1=CC=C(C=O)C(Br)=C1

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Specifications

PubChem CID	4645292
CAS	824-54-4
Molecular Weight (g/mol)	199.05
MDL Number	MFCD04039890
SMILES	CC1=CC=C(C=O)C(Br)=C1
Synonym	benzaldehyde, 2-bromo-4-methyl,acmc-209pp2,ksc497q8b,tpc-i119,2-2-methoxyphenyl-2-methylamino cyclohexanone,2-bromo-4-methylbenzaldehyde, technical grade
IUPAC Name	2-bromo-4-methylbenzaldehyde
InChI Key	MUZMDYCVUCMIDC-UHFFFAOYSA-N
Molecular Formula	C8H7BrO

580

m-Toluidine, 99%

CAS: 108-44-1 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.16 MDL Number: MFCD00007808 InChI Key: JJYPMNFTHPTTDI-UHFFFAOYSA-N Synonym: m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine PubChem CID: 7934 IUPAC Name: 3-methylaniline SMILES: CC1=CC=CC(N)=C1

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Specifications

PubChem CID	7934
CAS	108-44-1
Molecular Weight (g/mol)	107.16
MDL Number	MFCD00007808
SMILES	CC1=CC=CC(N)=C1
Synonym	m-toluidine,3-toluidine,benzenamine, 3-methyl,3-aminotoluene,m-methylaniline,m-tolylamine,m-toluidin,m-aminotoluene,m-methylbenzenamine,3-methylbenzenamine
IUPAC Name	3-methylaniline
InChI Key	JJYPMNFTHPTTDI-UHFFFAOYSA-N
Molecular Formula	C7H9N

581

3-Iodophenylacetic acid, 98%

CAS: 1878-69-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.05 MDL Number: MFCD00046548 InChI Key: MRSWWBAFGGGWRH-UHFFFAOYSA-N Synonym: 3-iodophenylacetic acid,2-3-iodophenyl acetic acid,3-iodophenyl acetic acid,m-iodophenylacetic acid,m-iodobenzeneacetic acid,benzeneacetic acid, 3-iodo,pubchem4195,3-iodophenylaceticacid,acmc-1cfam,3-iodobenzeneacetic acid PubChem CID: 3870220 IUPAC Name: 2-(3-iodophenyl)acetic acid SMILES: OC(=O)CC1=CC(I)=CC=C1

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Specifications

PubChem CID	3870220
CAS	1878-69-9
Molecular Weight (g/mol)	262.05
MDL Number	MFCD00046548
SMILES	OC(=O)CC1=CC(I)=CC=C1
Synonym	3-iodophenylacetic acid,2-3-iodophenyl acetic acid,3-iodophenyl acetic acid,m-iodophenylacetic acid,m-iodobenzeneacetic acid,benzeneacetic acid, 3-iodo,pubchem4195,3-iodophenylaceticacid,acmc-1cfam,3-iodobenzeneacetic acid
IUPAC Name	2-(3-iodophenyl)acetic acid
InChI Key	MRSWWBAFGGGWRH-UHFFFAOYSA-N
Molecular Formula	C8H7IO2

582

(2-Thien-2-ylphenyl)methanol, 97%, Thermo Scientific™

CAS: 773872-97-2 Molecular Formula: C11H10OS Molecular Weight (g/mol): 190.26 MDL Number: MFCD06203081 InChI Key: IUULMJAEIKVTKZ-UHFFFAOYSA-N Synonym: 2-thien-2-ylphenyl methanol,2-thiophen-2-yl phenyl methanol,2-thien-2-yl phenyl methanol,2-thiophen-2-ylphenyl methanol,2-2-thienyl phenyl methanol,benzenemethanol,2-2-thienyl,2-2-thienyl phenyl methan-1-ol PubChem CID: 2795559 SMILES: OCC1=CC=CC=C1C1=CC=CS1

Pricing & Availability
Specifications

PubChem CID	2795559
CAS	773872-97-2
Molecular Weight (g/mol)	190.26
MDL Number	MFCD06203081
SMILES	OCC1=CC=CC=C1C1=CC=CS1
Synonym	2-thien-2-ylphenyl methanol,2-thiophen-2-yl phenyl methanol,2-thien-2-yl phenyl methanol,2-thiophen-2-ylphenyl methanol,2-2-thienyl phenyl methanol,benzenemethanol,2-2-thienyl,2-2-thienyl phenyl methan-1-ol
InChI Key	IUULMJAEIKVTKZ-UHFFFAOYSA-N
Molecular Formula	C11H10OS

583

N-Methyl-3-(trifluoromethyl)benzylamine, 95%

CAS: 90390-07-1 Molecular Formula: C9H10F3N Molecular Weight (g/mol): 189.181 MDL Number: MFCD04115410 InChI Key: JFLPPELZYKHKQZ-UHFFFAOYSA-N Synonym: n-methyl-3-trifluoromethyl benzylamine,n-methyl-n-3-trifluoromethyl benzyl amine,n-methyl-1-3-trifluoromethyl phenyl methanamine,methyl 3-trifluoromethyl phenyl methyl amine,benzenemethanamine, n-methyl-3-trifluoromethyl,n-methyl 3-trifluoromethyl phenyl methanamine,n-methyl-1-3-trifluoromethyl phenyl methanamine hydrochloride,chembrdg-bb 4004318,methyl-3-trifluoromethyl-benzyl-amine PubChem CID: 485414 IUPAC Name: N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine SMILES: CNCC1=CC(=CC=C1)C(F)(F)F

Pricing & Availability
Specifications

PubChem CID	485414
CAS	90390-07-1
Molecular Weight (g/mol)	189.181
MDL Number	MFCD04115410
SMILES	CNCC1=CC(=CC=C1)C(F)(F)F
Synonym	n-methyl-3-trifluoromethyl benzylamine,n-methyl-n-3-trifluoromethyl benzyl amine,n-methyl-1-3-trifluoromethyl phenyl methanamine,methyl 3-trifluoromethyl phenyl methyl amine,benzenemethanamine, n-methyl-3-trifluoromethyl,n-methyl 3-trifluoromethyl phenyl methanamine,n-methyl-1-3-trifluoromethyl phenyl methanamine hydrochloride,chembrdg-bb 4004318,methyl-3-trifluoromethyl-benzyl-amine
IUPAC Name	N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
InChI Key	JFLPPELZYKHKQZ-UHFFFAOYSA-N
Molecular Formula	C9H10F3N

584

3,5-Bis(trifluoromethyl)aniline, 98+%

CAS: 328-74-5 Molecular Formula: C₈H₅F₆N Molecular Weight (g/mol): 229.12 MDL Number: MFCD00000394 InChI Key: CDIDGWDGQGVCIB-UHFFFAOYSA-N Synonym: 3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl PubChem CID: 9480 IUPAC Name: 3,5-bis(trifluoromethyl)aniline SMILES: C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F

Pricing & Availability
Specifications

PubChem CID	9480
CAS	328-74-5
Molecular Weight (g/mol)	229.12
MDL Number	MFCD00000394
SMILES	C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F
Synonym	3,5-bis trifluoromethyl aniline,3,5-di trifluoromethyl aniline,benzenamine, 3,5-bis trifluoromethyl,3,5-bis trifluoromethyl benzenamine,3',5'-bis-trifluoromethyl aniline,3,5-bis-trifluoromethylaniline,alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylidine,3,5-bis-trifluoromethyl-phenylamine,aniline, 3,5-bis trifluoromethyl
IUPAC Name	3,5-bis(trifluoromethyl)aniline
InChI Key	CDIDGWDGQGVCIB-UHFFFAOYSA-N
Molecular Formula	C₈H₅F₆N

585

2-Chloro-5-nitrobenzoic Acid, 99+%

CAS: 2516-96-3 Molecular Formula: C₇H₄ClNO₄ Molecular Weight (g/mol): 201.56 MDL Number: MFCD00007294 InChI Key: QUEKGYQTRJVEQC-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid PubChem CID: 17287 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Pricing & Availability
Specifications

PubChem CID	17287
CAS	2516-96-3
Molecular Weight (g/mol)	201.56
MDL Number	MFCD00007294
SMILES	C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl
Synonym	2-chloro-5-nitrobenzoic acid,benzoic acid, 2-chloro-5-nitro,6-chloro-3-nitrobenzoic acid,2-chloro-5-nitro-benzoic acid,2-chloro-5-nitrobenzoicacid,mesalamine impurity m,pubchem13682,acmc-1cb0i,2-chloro-5-nitrobenzic acid,5-nitro-2-chlorobenzoic acid
InChI Key	QUEKGYQTRJVEQC-UHFFFAOYSA-N
Molecular Formula	C₇H₄ClNO₄

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