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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4,156 – 4,170 of 69,573 results

4,156

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Methyl 2-amino-4-fluorobenzoate, 97%, Thermo Scientific Chemicals

CAS: 2475-81-2 Molecular Formula: C8H8FNO2 Molecular Weight (g/mol): 169.16 MDL Number: MFCD11054082 InChI Key: UBFRSTYHLYPSND-UHFFFAOYSA-N Synonym: methyl2-amino-4-fluorobenzoate,2-amino-4-fluoro-benzoic acid methyl ester,benzoic acid, 2-amino-4-fluoro-, methyl ester,acmc-209gej,intermediates-zcf02666,methyl 4-fluoroanthranilate,2-amino-4-fluorobenzoic acid methyl ester PubChem CID: 14075433 IUPAC Name: methyl 2-amino-4-fluorobenzoate SMILES: COC(=O)C1=C(N)C=C(F)C=C1

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Specifications

PubChem CID	14075433
CAS	2475-81-2
Molecular Weight (g/mol)	169.16
MDL Number	MFCD11054082
SMILES	COC(=O)C1=C(N)C=C(F)C=C1
Synonym	methyl2-amino-4-fluorobenzoate,2-amino-4-fluoro-benzoic acid methyl ester,benzoic acid, 2-amino-4-fluoro-, methyl ester,acmc-209gej,intermediates-zcf02666,methyl 4-fluoroanthranilate,2-amino-4-fluorobenzoic acid methyl ester
IUPAC Name	methyl 2-amino-4-fluorobenzoate
InChI Key	UBFRSTYHLYPSND-UHFFFAOYSA-N
Molecular Formula	C8H8FNO2

4,157

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2'-Aminoacetanilide, 98%

CAS: 34801-09-7 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00210388 InChI Key: MPXAYYWSDIKNTP-UHFFFAOYSA-N Synonym: n-2-aminophenyl acetamide,2'-aminoacetanilide,o-aminoacetanilide,acetamide, n-2-aminophenyl,unii-lb34xrq95v,lb34xrq95v,acetamide, n-2-aminophenyl-9ci,n-acetyl-2-aminoaniline,n-acetyl-o-phenylenediamine,2-aminoactanilide PubChem CID: 11149 IUPAC Name: N-(2-aminophenyl)acetamide SMILES: CC(=O)NC1=CC=CC=C1N

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Specifications

PubChem CID	11149
CAS	34801-09-7
Molecular Weight (g/mol)	150.18
MDL Number	MFCD00210388
SMILES	CC(=O)NC1=CC=CC=C1N
Synonym	n-2-aminophenyl acetamide,2'-aminoacetanilide,o-aminoacetanilide,acetamide, n-2-aminophenyl,unii-lb34xrq95v,lb34xrq95v,acetamide, n-2-aminophenyl-9ci,n-acetyl-2-aminoaniline,n-acetyl-o-phenylenediamine,2-aminoactanilide
IUPAC Name	N-(2-aminophenyl)acetamide
InChI Key	MPXAYYWSDIKNTP-UHFFFAOYSA-N
Molecular Formula	C8H10N2O

4,158

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4-(Hydroxymethyl)phenylacetic acid, 97%

CAS: 73401-74-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00065692 InChI Key: FWZBPBKAANKOJQ-UHFFFAOYSA-N Synonym: 4-hydroxymethyl phenylacetic acid,2-4-hydroxymethyl phenyl acetic acid,4-hydroxymethyl phenyl acetic acid,4-hydroxymethylphenylacetic acid,benzeneacetic acid,4-hydroxymethyl,benzeneacetic acid, 4-hydroxymethyl,ambotzrl-1037,pubchem19630,acmc-1bl5i PubChem CID: 3283498 IUPAC Name: 2-[4-(hydroxymethyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)CO

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Specifications

PubChem CID	3283498
CAS	73401-74-8
Molecular Weight (g/mol)	166.176
MDL Number	MFCD00065692
SMILES	C1=CC(=CC=C1CC(=O)O)CO
Synonym	4-hydroxymethyl phenylacetic acid,2-4-hydroxymethyl phenyl acetic acid,4-hydroxymethyl phenyl acetic acid,4-hydroxymethylphenylacetic acid,benzeneacetic acid,4-hydroxymethyl,benzeneacetic acid, 4-hydroxymethyl,ambotzrl-1037,pubchem19630,acmc-1bl5i
IUPAC Name	2-[4-(hydroxymethyl)phenyl]acetic acid
InChI Key	FWZBPBKAANKOJQ-UHFFFAOYSA-N
Molecular Formula	C9H10O3

4,159

4-(Pyrid-2-yloxy)benzoic acid, ≥97%, Thermo Scientific™

CAS: 51363-00-9 Molecular Formula: C12H9NO3 Molecular Weight (g/mol): 215.21 MDL Number: MFCD08435897 InChI Key: GKSKQZLHPWBLJL-UHFFFAOYSA-N Synonym: 4-pyrid-2-yloxy benzoic acid,4-pyridin-2-yloxy benzoic acid,4-2-pyridyloxy benzoic acid,4-pyridin-2-yloxy-benzoic acid,4-pyridin-2-yl oxy benzoic acid PubChem CID: 22262052 IUPAC Name: 4-pyridin-2-yloxybenzoic acid SMILES: OC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1

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Specifications

PubChem CID	22262052
CAS	51363-00-9
Molecular Weight (g/mol)	215.21
MDL Number	MFCD08435897
SMILES	OC(=O)C1=CC=C(OC2=CC=CC=N2)C=C1
Synonym	4-pyrid-2-yloxy benzoic acid,4-pyridin-2-yloxy benzoic acid,4-2-pyridyloxy benzoic acid,4-pyridin-2-yloxy-benzoic acid,4-pyridin-2-yl oxy benzoic acid
IUPAC Name	4-pyridin-2-yloxybenzoic acid
InChI Key	GKSKQZLHPWBLJL-UHFFFAOYSA-N
Molecular Formula	C12H9NO3

4,160

N-Methyl-3-(1,3-thiazol-2-yl)benzylamine, 95%, Thermo Scientific™

CAS: 892501-89-2 Molecular Formula: C11H12N2S Molecular Weight (g/mol): 204.291 MDL Number: MFCD09025830 InChI Key: MNTPWZTYKCKBQX-UHFFFAOYSA-N Synonym: n-methyl-3-1,3-thiazol-2-yl benzylamine,n-methyl-1-3-thiazol-2-yl phenyl methanamine,methyl 3-1,3-thiazol-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-thiazolyl,n-methyl-1-3-1,3-thiazol-2-yl phenyl methanamine PubChem CID: 18525729 IUPAC Name: N-methyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine SMILES: CNCC1=CC=CC(=C1)C2=NC=CS2

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Specifications

PubChem CID	18525729
CAS	892501-89-2
Molecular Weight (g/mol)	204.291
MDL Number	MFCD09025830
SMILES	CNCC1=CC=CC(=C1)C2=NC=CS2
Synonym	n-methyl-3-1,3-thiazol-2-yl benzylamine,n-methyl-1-3-thiazol-2-yl phenyl methanamine,methyl 3-1,3-thiazol-2-yl phenyl methyl amine,benzenemethanamine,n-methyl-3-2-thiazolyl,n-methyl-1-3-1,3-thiazol-2-yl phenyl methanamine
IUPAC Name	N-methyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
InChI Key	MNTPWZTYKCKBQX-UHFFFAOYSA-N
Molecular Formula	C11H12N2S

4,161

N-Methyl-4-(1-methyl-1H-pyrazol-3-yl)benzylamine, 90%, Thermo Scientific™

CAS: 179873-47-3 Molecular Formula: C12H15N3 Molecular Weight (g/mol): 201.273 MDL Number: MFCD09702353 InChI Key: BBOCGPKUAXCMLG-UHFFFAOYSA-N Synonym: n-methyl-4-1-methyl-1h-pyrazol-3-yl benzylamine,benzenemethanamine,n-methyl-4-1-methyl-1h-pyrazol-3-yl,methyl 4-1-methylpyrazol-3-yl phenyl methyl amine,n-methyl-1-4-1-methyl-1h-pyrazol-3-yl phenyl methanamine,methyl 4-1-methyl-1h-pyrazol-3-yl phenyl methyl amine PubChem CID: 24229474 IUPAC Name: N-methyl-1-[4-(1-methylpyrazol-3-yl)phenyl]methanamine SMILES: CNCC1=CC=C(C=C1)C2=NN(C=C2)C

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Specifications

PubChem CID	24229474
CAS	179873-47-3
Molecular Weight (g/mol)	201.273
MDL Number	MFCD09702353
SMILES	CNCC1=CC=C(C=C1)C2=NN(C=C2)C
Synonym	n-methyl-4-1-methyl-1h-pyrazol-3-yl benzylamine,benzenemethanamine,n-methyl-4-1-methyl-1h-pyrazol-3-yl,methyl 4-1-methylpyrazol-3-yl phenyl methyl amine,n-methyl-1-4-1-methyl-1h-pyrazol-3-yl phenyl methanamine,methyl 4-1-methyl-1h-pyrazol-3-yl phenyl methyl amine
IUPAC Name	N-methyl-1-[4-(1-methylpyrazol-3-yl)phenyl]methanamine
InChI Key	BBOCGPKUAXCMLG-UHFFFAOYSA-N
Molecular Formula	C12H15N3

4,162

4-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]morpholine, 97%, Thermo Scientific™

CAS: 364794-79-6 Molecular Formula: C17H26BNO3 Molecular Weight (g/mol): 303.21 MDL Number: MFCD04974052 InChI Key: JOIXYIWXEYXHHG-UHFFFAOYSA-N Synonym: 4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane PubChem CID: 2795502 IUPAC Name: 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1

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Specifications

PubChem CID	2795502
CAS	364794-79-6
Molecular Weight (g/mol)	303.21
MDL Number	MFCD04974052
SMILES	CC1(C)OB(OC1(C)C)C1=CC=C(CN2CCOCC2)C=C1
Synonym	4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzyl morpholine,4-morpholinomethyl phenylboronic acid pinacol ester,4-4-morpholinomethyl phenylboronic acid pinacol ester,4-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-methylmorpholino phenylboronic acid, pinacol ester,4-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methyl morpholine,4-morpholinomethyl phenylboronic acid, pinacol ester,4,4,5,5-tetramethyl-2-4-morpholin-4-ylmethyl phenyl-1,3,2-dioxaborolane
IUPAC Name	4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
InChI Key	JOIXYIWXEYXHHG-UHFFFAOYSA-N
Molecular Formula	C17H26BNO3

4,163

4-[4-(Bromomethyl)phenyl]-1,2,3-thiadiazole, 97%, Thermo Scientific™

CAS: 163798-92-3 Molecular Formula: C9H7BrN2S Molecular Weight (g/mol): 255.13 MDL Number: MFCD00052102 InChI Key: DGHQOPZIGDRUIT-UHFFFAOYSA-N Synonym: 4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole PubChem CID: 2776454 IUPAC Name: 4-[4-(bromomethyl)phenyl]thiadiazole SMILES: BrCC1=CC=C(C=C1)C1=CSN=N1

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Specifications

PubChem CID	2776454
CAS	163798-92-3
Molecular Weight (g/mol)	255.13
MDL Number	MFCD00052102
SMILES	BrCC1=CC=C(C=C1)C1=CSN=N1
Synonym	4-4-bromomethyl phenyl-1,2,3-thiadiazole,1,2,3-thiadiazole,4-4-bromomethyl phenyl,4-4-bromomethyl phenyl thiadiazole,4-1,2,3-thiadiazol-4-yl benzyl bromide,4-4-bromomethylphenyl-1,2,3-thiadiazole,4-4-bromomethyl-phenyl-1,2,3 thiadiazole
IUPAC Name	4-[4-(bromomethyl)phenyl]thiadiazole
InChI Key	DGHQOPZIGDRUIT-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2S

4,164

[1-(Phenylsulfonyl)-1H-indol-2-yl]methanol, ≥97%, Thermo Scientific™

CAS: 73282-11-8 Molecular Formula: C15H13NO3S Molecular Weight (g/mol): 287.33 MDL Number: MFCD03086093 InChI Key: LRYLVFIUTJMZBY-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl-1h-indol-2-yl methanol,1-benzenesulfonyl indol-2-yl methanol,1-phenylsulfonyl-1h-indole-2-methanol,1h-indole-2-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-2-yl methanol PubChem CID: 2776227 SMILES: OCC1=CC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC=C1

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Specifications

PubChem CID	2776227
CAS	73282-11-8
Molecular Weight (g/mol)	287.33
MDL Number	MFCD03086093
SMILES	OCC1=CC2=CC=CC=C2N1S(=O)(=O)C1=CC=CC=C1
Synonym	1-phenylsulfonyl-1h-indol-2-yl methanol,1-benzenesulfonyl indol-2-yl methanol,1-phenylsulfonyl-1h-indole-2-methanol,1h-indole-2-methanol,1-phenylsulfonyl,1-benzenesulfonyl-1h-indol-2-yl methanol
InChI Key	LRYLVFIUTJMZBY-UHFFFAOYSA-N
Molecular Formula	C15H13NO3S

4,165

3-(4-Bromophenoxy)-6-methylpyridazine, 97%, Thermo Scientific™

CAS: 368869-96-9 Molecular Formula: C11H9BrN2O Molecular Weight (g/mol): 265.11 MDL Number: MFCD03086135 InChI Key: LZEJOINDIKGWQJ-UHFFFAOYSA-N Synonym: 3-4-bromophenoxy-6-methylpyridazine,pyridazine,3-4-bromophenoxy-6-methyl,3-4-bromanylphenoxy-6-methyl-pyridazine,4-bromo-1-6-methylpyridazin-3-yloxy benzene PubChem CID: 2776522 IUPAC Name: 3-(4-bromophenoxy)-6-methylpyridazine SMILES: CC1=NN=C(OC2=CC=C(Br)C=C2)C=C1

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Specifications

PubChem CID	2776522
CAS	368869-96-9
Molecular Weight (g/mol)	265.11
MDL Number	MFCD03086135
SMILES	CC1=NN=C(OC2=CC=C(Br)C=C2)C=C1
Synonym	3-4-bromophenoxy-6-methylpyridazine,pyridazine,3-4-bromophenoxy-6-methyl,3-4-bromanylphenoxy-6-methyl-pyridazine,4-bromo-1-6-methylpyridazin-3-yloxy benzene
IUPAC Name	3-(4-bromophenoxy)-6-methylpyridazine
InChI Key	LZEJOINDIKGWQJ-UHFFFAOYSA-N
Molecular Formula	C11H9BrN2O

4,166

2-(Morpholinosulfonyl)benzaldehyde, 97%, Thermo Scientific™

CAS: 862500-24-1 Molecular Formula: C11H13NO4S Molecular Weight (g/mol): 255.288 MDL Number: MFCD09817561 InChI Key: GSDGTTZDQFKUBA-UHFFFAOYSA-N Synonym: 2-morpholinosulfonyl benzaldehyde,2-morpholine-4-sulfonyl benzaldehyde,2-morpholin-4-ylsulfonyl benzaldehyde,2-morpholin-4-ylsulphonyl benzaldehyde,benzaldehyde,2-4-morpholinylsulfonyl PubChem CID: 24229770 IUPAC Name: 2-morpholin-4-ylsulfonylbenzaldehyde SMILES: C1COCCN1S(=O)(=O)C2=CC=CC=C2C=O

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Specifications

PubChem CID	24229770
CAS	862500-24-1
Molecular Weight (g/mol)	255.288
MDL Number	MFCD09817561
SMILES	C1COCCN1S(=O)(=O)C2=CC=CC=C2C=O
Synonym	2-morpholinosulfonyl benzaldehyde,2-morpholine-4-sulfonyl benzaldehyde,2-morpholin-4-ylsulfonyl benzaldehyde,2-morpholin-4-ylsulphonyl benzaldehyde,benzaldehyde,2-4-morpholinylsulfonyl
IUPAC Name	2-morpholin-4-ylsulfonylbenzaldehyde
InChI Key	GSDGTTZDQFKUBA-UHFFFAOYSA-N
Molecular Formula	C11H13NO4S

4,167

2-(3-Bromophenoxy)pyridine, 97%, Thermo Scientific™

CAS: 92545-83-0 Molecular Formula: C11H8BrNO Molecular Weight (g/mol): 250.10 MDL Number: MFCD08741430 InChI Key: CXEIVVAAUANDIA-UHFFFAOYSA-N Synonym: 2-3-bromophenoxy pyridine,2-3-bromophenoxyl pyridine,pyridine, 2-3-bromophenoxy,3-bromophenyl pyridin-2-yl ether,3-bromo-1-2-pyridyloxy benzene,1-bromo-3-pyridin-2-yl oxy benzene PubChem CID: 21616612 IUPAC Name: 2-(3-bromophenoxy)pyridine SMILES: BrC1=CC=CC(OC2=CC=CC=N2)=C1

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Specifications

PubChem CID	21616612
CAS	92545-83-0
Molecular Weight (g/mol)	250.10
MDL Number	MFCD08741430
SMILES	BrC1=CC=CC(OC2=CC=CC=N2)=C1
Synonym	2-3-bromophenoxy pyridine,2-3-bromophenoxyl pyridine,pyridine, 2-3-bromophenoxy,3-bromophenyl pyridin-2-yl ether,3-bromo-1-2-pyridyloxy benzene,1-bromo-3-pyridin-2-yl oxy benzene
IUPAC Name	2-(3-bromophenoxy)pyridine
InChI Key	CXEIVVAAUANDIA-UHFFFAOYSA-N
Molecular Formula	C11H8BrNO

4,168

3-(2-Bromophenyl)-5-methyl-1,2,4-oxadiazole, ≥97%, Thermo Scientific™

CAS: 859851-04-0 Molecular Formula: C9H7BrN2O Molecular Weight (g/mol): 239.07 MDL Number: MFCD07772874 InChI Key: WLLDZYVHNSXWSY-UHFFFAOYSA-N Synonym: 3-2-bromophenyl-5-methyl-1,2,4-oxadiazole,1,2,4-oxadiazole,3-3-bromophenyl-5-methyl,3-2-bromophenyl-5-methyl-1,2,4 oxadiazole PubChem CID: 7164661 IUPAC Name: 3-(2-bromophenyl)-5-methyl-1,2,4-oxadiazole SMILES: CC1=NC(=NO1)C1=CC=CC=C1Br

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Specifications

PubChem CID	7164661
CAS	859851-04-0
Molecular Weight (g/mol)	239.07
MDL Number	MFCD07772874
SMILES	CC1=NC(=NO1)C1=CC=CC=C1Br
Synonym	3-2-bromophenyl-5-methyl-1,2,4-oxadiazole,1,2,4-oxadiazole,3-3-bromophenyl-5-methyl,3-2-bromophenyl-5-methyl-1,2,4 oxadiazole
IUPAC Name	3-(2-bromophenyl)-5-methyl-1,2,4-oxadiazole
InChI Key	WLLDZYVHNSXWSY-UHFFFAOYSA-N
Molecular Formula	C9H7BrN2O

4,169

Furosemide, 97+%

CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.739 MDL Number: MFCD00010549 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N Synonym: furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin PubChem CID: 3440 ChEBI: CHEBI:47426 IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

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Specifications

PubChem CID	3440
CAS	54-31-9
Molecular Weight (g/mol)	330.739
ChEBI	CHEBI:47426
MDL Number	MFCD00010549
SMILES	C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
Synonym	furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin
IUPAC Name	4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid
InChI Key	ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Molecular Formula	C12H11ClN2O5S

4,170

Clofibrate, 95+%

CAS: 637-07-0 Molecular Formula: C12H15ClO3 Molecular Weight (g/mol): 242.70 MDL Number: MFCD00000615 InChI Key: KNHUKKLJHYUCFP-UHFFFAOYSA-N Synonym: clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul PubChem CID: 2796 ChEBI: CHEBI:3750 IUPAC Name: ethyl 2-(4-chlorophenoxy)-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1

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Specifications

PubChem CID	2796
CAS	637-07-0
Molecular Weight (g/mol)	242.70
ChEBI	CHEBI:3750
MDL Number	MFCD00000615
SMILES	CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1
Synonym	clofibrate,ethyl clofibrate,clofibratum,clofibrato,atromid-s,miscleron,atromid,liprin,epib,angiokapsul
IUPAC Name	ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
InChI Key	KNHUKKLJHYUCFP-UHFFFAOYSA-N
Molecular Formula	C12H15ClO3

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