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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2,446 – 2,460 of 57,282 results

2,446

2-Phenoxyaniline, 98%

CAS: 2688-84-8 Molecular Formula: C12H11NO Molecular Weight (g/mol): 185.226 MDL Number: MFCD00035765 InChI Key: NMFFUUFPJJOWHK-UHFFFAOYSA-N Synonym: 2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline PubChem CID: 75899 IUPAC Name: 2-phenoxyaniline SMILES: C1=CC=C(C=C1)OC2=CC=CC=C2N

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Specifications

PubChem CID	75899
CAS	2688-84-8
Molecular Weight (g/mol)	185.226
MDL Number	MFCD00035765
SMILES	C1=CC=C(C=C1)OC2=CC=CC=C2N
Synonym	2-aminodiphenyl ether,o-phenoxyaniline,2-aminophenyl phenyl ether,benzenamine, 2-phenoxy,2-ade,2-phenoxybenzenamine,o-aminophenyl phenyl ether,aniline, 2-phenoxy,aniline, o-phenoxy,2-phonoxyaniline
IUPAC Name	2-phenoxyaniline
InChI Key	NMFFUUFPJJOWHK-UHFFFAOYSA-N
Molecular Formula	C12H11NO

2,447

3-[(4-Methylpiperazin-1-yl)methyl]benzonitrile, ≥97%, Thermo Scientific™

CAS: 859850-90-1 Molecular Formula: C13H17N3 Molecular Weight (g/mol): 215.30 MDL Number: MFCD07772861 InChI Key: NNYDAONDPGWBRI-UHFFFAOYSA-N Synonym: 3-4-methylpiperazin-1-yl methyl benzonitrile,3-4-methyl-piperazin-1-yl-methyl-benzonitrile,3-4-methyl-piperazin-1-ylmethyl-benzonitrile,3-4-methylpiperazinyl methyl benzenecarbonitrile,benzonitrile,3-4-methyl-1-piperazinyl methyl PubChem CID: 7164647 IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]benzonitrile SMILES: CN1CCN(CC2=CC=CC(=C2)C#N)CC1

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Specifications

PubChem CID	7164647
CAS	859850-90-1
Molecular Weight (g/mol)	215.30
MDL Number	MFCD07772861
SMILES	CN1CCN(CC2=CC=CC(=C2)C#N)CC1
Synonym	3-4-methylpiperazin-1-yl methyl benzonitrile,3-4-methyl-piperazin-1-yl-methyl-benzonitrile,3-4-methyl-piperazin-1-ylmethyl-benzonitrile,3-4-methylpiperazinyl methyl benzenecarbonitrile,benzonitrile,3-4-methyl-1-piperazinyl methyl
IUPAC Name	3-[(4-methylpiperazin-1-yl)methyl]benzonitrile
InChI Key	NNYDAONDPGWBRI-UHFFFAOYSA-N
Molecular Formula	C13H17N3

2,448

(Cyclopropylmethyl)triphenylphosphonium bromide, 98+%

CAS: 14799-82-7 Molecular Formula: C22H22BrP Molecular Weight (g/mol): 397.30 MDL Number: MFCD00051878 InChI Key: WFQSHRSBITUSIB-UHFFFAOYSA-M Synonym: cyclopropylmethyl triphenylphosphonium bromide,cyclopropylmethyl triphenyl phosphanium bromide,cyclopropylmethyl triphenyl phosphonium bromide,phosphonium, cyclopropylmethyl triphenyl-, bromide,cyclopropylmethyl triphenylphosphanium bromide,acmc-1cg9v,cyclopropylmethyltriphenylphosphonium bromide,cyclopropylmethyl triphenylphosphoniumbromide,phosphonium, cyclopropylmethyl triphenyl-, bromide 1:1 PubChem CID: 3084208 IUPAC Name: cyclopropylmethyl(triphenyl)phosphanium;bromide SMILES: [Br-].C(C1CC1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

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Specifications

PubChem CID	3084208
CAS	14799-82-7
Molecular Weight (g/mol)	397.30
MDL Number	MFCD00051878
SMILES	[Br-].C(C1CC1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
Synonym	cyclopropylmethyl triphenylphosphonium bromide,cyclopropylmethyl triphenyl phosphanium bromide,cyclopropylmethyl triphenyl phosphonium bromide,phosphonium, cyclopropylmethyl triphenyl-, bromide,cyclopropylmethyl triphenylphosphanium bromide,acmc-1cg9v,cyclopropylmethyltriphenylphosphonium bromide,cyclopropylmethyl triphenylphosphoniumbromide,phosphonium, cyclopropylmethyl triphenyl-, bromide 1:1
IUPAC Name	cyclopropylmethyl(triphenyl)phosphanium;bromide
InChI Key	WFQSHRSBITUSIB-UHFFFAOYSA-M
Molecular Formula	C22H22BrP

2,449

3-Bromobiphenyl, 97%

CAS: 2113-57-7 Molecular Formula: C12H9Br Molecular Weight (g/mol): 233.11 MDL Number: MFCD00000082 InChI Key: USYQKCQEVBFJRP-UHFFFAOYSA-N Synonym: 3-bromobiphenyl,3-bromo-1,1'-biphenyl,1,1'-biphenyl, 3-bromo,3-bromo-biphenyl,m-bromobiphenyl,biphenyl, 3-bromo,3-bromodiphenyl,unii-o7i53k56s8,ccris 5889,3-brombiphenyl PubChem CID: 16449 IUPAC Name: 1-bromo-3-phenylbenzene SMILES: BrC1=CC=CC(=C1)C1=CC=CC=C1

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Specifications

PubChem CID	16449
CAS	2113-57-7
Molecular Weight (g/mol)	233.11
MDL Number	MFCD00000082
SMILES	BrC1=CC=CC(=C1)C1=CC=CC=C1
Synonym	3-bromobiphenyl,3-bromo-1,1'-biphenyl,1,1'-biphenyl, 3-bromo,3-bromo-biphenyl,m-bromobiphenyl,biphenyl, 3-bromo,3-bromodiphenyl,unii-o7i53k56s8,ccris 5889,3-brombiphenyl
IUPAC Name	1-bromo-3-phenylbenzene
InChI Key	USYQKCQEVBFJRP-UHFFFAOYSA-N
Molecular Formula	C12H9Br

2,450

Ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate, 98+%

CAS: 2037-81-2 Molecular Formula: C12H11N3O4S Molecular Weight (g/mol): 293.30 MDL Number: MFCD00100230 InChI Key: FCPHNPRVMWSGSK-UHFFFAOYSA-N Synonym: ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate,ethyl 5-phenoxycarbonyl amino-1,2,3-thiadiazole-4-carboxylate,5-n-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylic acid ethyl ester,tos-bb-0370,ethyl 5-phenoxycarbonylamino thiadiazole-4-carboxylate,ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate, 98+% PubChem CID: 6917126 IUPAC Name: ethyl 5-(phenoxycarbonylamino)thiadiazole-4-carboxylate SMILES: CCOC(=O)C1=C(NC(=O)OC2=CC=CC=C2)SN=N1

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Specifications

PubChem CID	6917126
CAS	2037-81-2
Molecular Weight (g/mol)	293.30
MDL Number	MFCD00100230
SMILES	CCOC(=O)C1=C(NC(=O)OC2=CC=CC=C2)SN=N1
Synonym	ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate,ethyl 5-phenoxycarbonyl amino-1,2,3-thiadiazole-4-carboxylate,5-n-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylic acid ethyl ester,tos-bb-0370,ethyl 5-phenoxycarbonylamino thiadiazole-4-carboxylate,ethyl 5-phenoxycarbonylamino-1,2,3-thiadiazole-4-carboxylate, 98+%
IUPAC Name	ethyl 5-(phenoxycarbonylamino)thiadiazole-4-carboxylate
InChI Key	FCPHNPRVMWSGSK-UHFFFAOYSA-N
Molecular Formula	C12H11N3O4S

2,451

Benzoic anhydride, 98%

CAS: 93-97-0 Molecular Formula: C₁₄H₁₀O₃ Molecular Weight (g/mol): 226.23 MDL Number: MFCD00003073 InChI Key: CHIHQLCVLOXUJW-UHFFFAOYSA-N Synonym: benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate PubChem CID: 7167 ChEBI: CHEBI:38815 IUPAC Name: benzoyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2

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Specifications

PubChem CID	7167
CAS	93-97-0
Molecular Weight (g/mol)	226.23
ChEBI	CHEBI:38815
MDL Number	MFCD00003073
SMILES	C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2
Synonym	benzoic anhydride,benzoic acid, anhydride,benzoyl anhydride,benzoylbenzoate,benzoic acid anhydride,benzoic acid, 1,1'-anhydride,phenyl anhydride,benzoesaeureanhydrid,unii-9k7x34fov2,phenylcarbonyl benzoate
IUPAC Name	benzoyl benzoate
InChI Key	CHIHQLCVLOXUJW-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₀O₃

2,452

2,6-Diisopropylaniline, 90+%

CAS: 24544-04-5 Molecular Formula: C12H19N Molecular Weight (g/mol): 177.291 MDL Number: MFCD00008887 InChI Key: WKBALTUBRZPIPZ-UHFFFAOYSA-N Synonym: 2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline PubChem CID: 32484 IUPAC Name: 2,6-di(propan-2-yl)aniline SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N

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Specifications

PubChem CID	32484
CAS	24544-04-5
Molecular Weight (g/mol)	177.291
MDL Number	MFCD00008887
SMILES	CC(C)C1=C(C(=CC=C1)C(C)C)N
Synonym	2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline
IUPAC Name	2,6-di(propan-2-yl)aniline
InChI Key	WKBALTUBRZPIPZ-UHFFFAOYSA-N
Molecular Formula	C12H19N

2,453

Phenylacetic acid hydrazide, 98%, Thermo Scientific Chemicals

CAS: 937-39-3 Molecular Formula: C₈H₁₀N₂O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00007612 InChI Key: FPTCVTJCJMVIDV-UHFFFAOYSA-N Synonym: phenylacetic acid hydrazide,benzeneacetic acid, hydrazide,phenylacetic hydrazide,phenylacetylhydrazine,phenylacetyl hydrazide,phenacetic acid hydrazide,2-phenylacetyl hydrazine,phenylacetohydrazide,phenylacethydrazide,phenyl-acetic acid hydrazide PubChem CID: 70301 IUPAC Name: 2-phenylacetohydrazide SMILES: C1=CC=C(C=C1)CC(=O)NN

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Specifications

PubChem CID	70301
CAS	937-39-3
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00007612
SMILES	C1=CC=C(C=C1)CC(=O)NN
Synonym	phenylacetic acid hydrazide,benzeneacetic acid, hydrazide,phenylacetic hydrazide,phenylacetylhydrazine,phenylacetyl hydrazide,phenacetic acid hydrazide,2-phenylacetyl hydrazine,phenylacetohydrazide,phenylacethydrazide,phenyl-acetic acid hydrazide
IUPAC Name	2-phenylacetohydrazide
InChI Key	FPTCVTJCJMVIDV-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀N₂O

2,454

4-Bromo-3-nitroanisole, 96%

CAS: 5344-78-5 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.03 MDL Number: MFCD00051511 InChI Key: KCOBIBRGPCFIGF-UHFFFAOYSA-N Synonym: 4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655 PubChem CID: 79288 IUPAC Name: 1-bromo-4-methoxy-2-nitrobenzene SMILES: COC1=CC=C(Br)C(=C1)[N+]([O-])=O

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Specifications

PubChem CID	79288
CAS	5344-78-5
Molecular Weight (g/mol)	232.03
MDL Number	MFCD00051511
SMILES	COC1=CC=C(Br)C(=C1)[N+]([O-])=O
Synonym	4-bromo-3-nitroanisole,4-bromo-3-nitroanisol,benzene, 1-bromo-4-methoxy-2-nitro,3-nitro-4-bromoanisole,4-methoxy-2-nitrobromobenzene,4-bromo-3-nitrothioanisole,4-bromo-3-nitrophenyl methyl ether,1-bromo-4-methoxy-2-nitro-benzene,timtec-bb sbb009974,pubchem2655
IUPAC Name	1-bromo-4-methoxy-2-nitrobenzene
InChI Key	KCOBIBRGPCFIGF-UHFFFAOYSA-N
Molecular Formula	C7H6BrNO3

2,455

4-Bromophenylacetylene, 97%

CAS: 766-96-1 Molecular Formula: C8H5Br Molecular Weight (g/mol): 181.032 MDL Number: MFCD00168822 InChI Key: LTLVZQZDXQWLHU-UHFFFAOYSA-N Synonym: 4-bromophenylacetylene,benzene, 1-bromo-4-ethynyl,1-bromo-4-ethynyl-benzene,4-bromophenyl acetylene,4'-bromophenyl acetylene,4'-bromophenylacetylene,p-bromophenylacetylene,p-bromophenyl acetylene,4-bromphenyl acetylene,4-bromo-1-ethynylbenzene PubChem CID: 136603 IUPAC Name: 1-bromo-4-ethynylbenzene SMILES: C#CC1=CC=C(C=C1)Br

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Specifications

PubChem CID	136603
CAS	766-96-1
Molecular Weight (g/mol)	181.032
MDL Number	MFCD00168822
SMILES	C#CC1=CC=C(C=C1)Br
Synonym	4-bromophenylacetylene,benzene, 1-bromo-4-ethynyl,1-bromo-4-ethynyl-benzene,4-bromophenyl acetylene,4'-bromophenyl acetylene,4'-bromophenylacetylene,p-bromophenylacetylene,p-bromophenyl acetylene,4-bromphenyl acetylene,4-bromo-1-ethynylbenzene
IUPAC Name	1-bromo-4-ethynylbenzene
InChI Key	LTLVZQZDXQWLHU-UHFFFAOYSA-N
Molecular Formula	C8H5Br

2,456

2,4-Difluorotoluene, 98+%

CAS: 452-76-6 Molecular Formula: C7H6F2 Molecular Weight (g/mol): 128.122 MDL Number: MFCD00000332 InChI Key: MPXDAIBTYWGBSL-UHFFFAOYSA-N PubChem CID: 67983 IUPAC Name: 2,4-difluoro-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)F

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Specifications

PubChem CID	67983
CAS	452-76-6
Molecular Weight (g/mol)	128.122
MDL Number	MFCD00000332
SMILES	CC1=C(C=C(C=C1)F)F
IUPAC Name	2,4-difluoro-1-methylbenzene
InChI Key	MPXDAIBTYWGBSL-UHFFFAOYSA-N
Molecular Formula	C7H6F2

2,457

2-Fluoro-4-nitrotoluene, 98%

CAS: 1427-07-2 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007199 InChI Key: WIQISTBTOQNVCE-UHFFFAOYSA-N Synonym: 2-fluoro-4-nitrotoluene,toluene, 2-fluoro-4-nitro,benzene, 2-fluoro-1-methyl-4-nitro,3-fluoro-4-methylnitrobenzene,1-methyl-2-fluoro-4-nitrobenzene,2-fluoro-1-methyl-4-nitro-benzene,pubchem1592,2-fluoro4-nitrotoluene,acmc-209cov,2-fluor-4-nitro-toluol PubChem CID: 74025 IUPAC Name: 2-fluoro-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])F

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Specifications

PubChem CID	74025
CAS	1427-07-2
Molecular Weight (g/mol)	155.128
MDL Number	MFCD00007199
SMILES	CC1=C(C=C(C=C1)[N+](=O)[O-])F
Synonym	2-fluoro-4-nitrotoluene,toluene, 2-fluoro-4-nitro,benzene, 2-fluoro-1-methyl-4-nitro,3-fluoro-4-methylnitrobenzene,1-methyl-2-fluoro-4-nitrobenzene,2-fluoro-1-methyl-4-nitro-benzene,pubchem1592,2-fluoro4-nitrotoluene,acmc-209cov,2-fluor-4-nitro-toluol
IUPAC Name	2-fluoro-1-methyl-4-nitrobenzene
InChI Key	WIQISTBTOQNVCE-UHFFFAOYSA-N
Molecular Formula	C7H6FNO2

2,458

2,6-Dihydroxybenzoic acid, 98%

CAS: 303-07-1 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002462 InChI Key: AKEUNCKRJATALU-UHFFFAOYSA-N Synonym: gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid PubChem CID: 9338 ChEBI: CHEBI:68465 IUPAC Name: 2,6-dihydroxybenzoic acid SMILES: OC(=O)C1=C(O)C=CC=C1O

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Specifications

PubChem CID	9338
CAS	303-07-1
Molecular Weight (g/mol)	154.12
ChEBI	CHEBI:68465
MDL Number	MFCD00002462
SMILES	OC(=O)C1=C(O)C=CC=C1O
Synonym	gamma-resorcylic acid,2-carboxyresorcinol,2,6-resorcylic acid,6-hydroxysalicylic acid,benzoic acid, 2,6-dihydroxy,.gamma.-resorcylic acid,unii-rsa5g6vrpv,rsa5g6vrpv,2,6-dihydroxy benzoic acid,2,6-dihydroxy-benzoic acid
IUPAC Name	2,6-dihydroxybenzoic acid
InChI Key	AKEUNCKRJATALU-UHFFFAOYSA-N
Molecular Formula	C7H6O4

2,459

2-Bromoanisole, 98%

CAS: 578-57-4 Molecular Formula: C7H7BrO Molecular Weight (g/mol): 187.036 MDL Number: MFCD00000064 InChI Key: HTDQSWDEWGSAMN-UHFFFAOYSA-N Synonym: 2-bromoanisole,o-bromoanisole,benzene, 1-bromo-2-methoxy,2-methoxybromobenzene,o-anisyl bromide,anisole, o-bromo,o-methoxybromobenzene,2-bromoanisol,o-methoxyphenyl bromide,2-methoxyphenyl bromide PubChem CID: 11358 IUPAC Name: 1-bromo-2-methoxybenzene SMILES: COC1=CC=CC=C1Br

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Specifications

PubChem CID	11358
CAS	578-57-4
Molecular Weight (g/mol)	187.036
MDL Number	MFCD00000064
SMILES	COC1=CC=CC=C1Br
Synonym	2-bromoanisole,o-bromoanisole,benzene, 1-bromo-2-methoxy,2-methoxybromobenzene,o-anisyl bromide,anisole, o-bromo,o-methoxybromobenzene,2-bromoanisol,o-methoxyphenyl bromide,2-methoxyphenyl bromide
IUPAC Name	1-bromo-2-methoxybenzene
InChI Key	HTDQSWDEWGSAMN-UHFFFAOYSA-N
Molecular Formula	C7H7BrO

2,460

4-Chloro-2-methoxy-5-methylaniline, 85%, Tech., Thermo Scientific™

CAS: 6376-14-3 Molecular Formula: C8H10ClNO Molecular Weight (g/mol): 171.62 MDL Number: MFCD00007847 InChI Key: XBAPOWUMJRIKAV-UHFFFAOYSA-N Synonym: chlorocresidine,4-chloro-5-methyl-o-anisidine,o-anisidine, 4-chloro-5-methyl,4-chloro-2-methoxy-5-methylphenylamine,4-chloro-2-methoxy-5-methylanilin,2-methoxy-5-methyl-4-chloroaniline,4-chloro-2-methoxy-5-methyl-aniline,4-chloro-2-methoxy-5-methyl-phenylamine,benzenamine,4-chloro-2-methoxy-5-methyl,tech., PubChem CID: 80782 IUPAC Name: 4-chloro-2-methoxy-5-methylaniline SMILES: COC1=CC(Cl)=C(C)C=C1N

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Specifications

PubChem CID	80782
CAS	6376-14-3
Molecular Weight (g/mol)	171.62
MDL Number	MFCD00007847
SMILES	COC1=CC(Cl)=C(C)C=C1N
Synonym	chlorocresidine,4-chloro-5-methyl-o-anisidine,o-anisidine, 4-chloro-5-methyl,4-chloro-2-methoxy-5-methylphenylamine,4-chloro-2-methoxy-5-methylanilin,2-methoxy-5-methyl-4-chloroaniline,4-chloro-2-methoxy-5-methyl-aniline,4-chloro-2-methoxy-5-methyl-phenylamine,benzenamine,4-chloro-2-methoxy-5-methyl,tech.,
IUPAC Name	4-chloro-2-methoxy-5-methylaniline
InChI Key	XBAPOWUMJRIKAV-UHFFFAOYSA-N
Molecular Formula	C8H10ClNO

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