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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1,816 – 1,830 of 119,462 results

1,816

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4-Methyl-3-nitrobenzaldehyde, 98%

CAS: 31680-07-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00017011 InChI Key: KHWGAWBXQOKXIJ-UHFFFAOYSA-N Synonym: 3-nitro-p-tolualdehyde,4-methyl-3-nitro-benzaldehyde,3-nitro-4-methylbenzaldehyde,benzaldehyde, 4-methyl-3-nitro,methylnitrobenzaldehyde,pubchem8157,acmc-209hod,4-methyl-3-nitrobenzaldehyde PubChem CID: 1798998 IUPAC Name: 4-methyl-3-nitrobenzaldehyde SMILES: CC1=CC=C(C=O)C=C1[N+]([O-])=O

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Specifications

PubChem CID	1798998
CAS	31680-07-6
Molecular Weight (g/mol)	165.15
MDL Number	MFCD00017011
SMILES	CC1=CC=C(C=O)C=C1[N+]([O-])=O
Synonym	3-nitro-p-tolualdehyde,4-methyl-3-nitro-benzaldehyde,3-nitro-4-methylbenzaldehyde,benzaldehyde, 4-methyl-3-nitro,methylnitrobenzaldehyde,pubchem8157,acmc-209hod,4-methyl-3-nitrobenzaldehyde
IUPAC Name	4-methyl-3-nitrobenzaldehyde
InChI Key	KHWGAWBXQOKXIJ-UHFFFAOYSA-N
Molecular Formula	C8H7NO3

1,817

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Benzyloxyacetyl chloride, 95%

CAS: 19810-31-2 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00010768 InChI Key: QISAUDWTBBNJIR-UHFFFAOYSA-N Synonym: benzyloxyacetyl chloride,2-benzyloxy acetyl chloride,benzyloxy acetyl chloride,benzyloxyacetylchloride,benzyloxy-acetyl chloride,benzyloxyacetic acid chloride,acetyl chloride, phenylmethoxy,acetyl chloride, benzyloxy,alpha-benzyloxy acetyl chloride,bnoch2cocl PubChem CID: 177085 IUPAC Name: 2-phenylmethoxyacetyl chloride SMILES: C1=CC=C(C=C1)COCC(=O)Cl

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Specifications

PubChem CID	177085
CAS	19810-31-2
Molecular Weight (g/mol)	184.619
MDL Number	MFCD00010768
SMILES	C1=CC=C(C=C1)COCC(=O)Cl
Synonym	benzyloxyacetyl chloride,2-benzyloxy acetyl chloride,benzyloxy acetyl chloride,benzyloxyacetylchloride,benzyloxy-acetyl chloride,benzyloxyacetic acid chloride,acetyl chloride, phenylmethoxy,acetyl chloride, benzyloxy,alpha-benzyloxy acetyl chloride,bnoch2cocl
IUPAC Name	2-phenylmethoxyacetyl chloride
InChI Key	QISAUDWTBBNJIR-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

1,818

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2-(4-tert-Butylphenyl)ethanol, 96%

CAS: 5406-86-0 Molecular Formula: C12H18O Molecular Weight (g/mol): 178.275 MDL Number: MFCD00236023 InChI Key: NZGMMENPUKHODD-UHFFFAOYSA-N Synonym: 2-4-tert-butylphenyl ethanol,2-4-tert-butyl phenyl ethanol,p-tert-butylphenethyl alcohol,p-tert-butyl phenethyl alcohol,phenethyl alcohol, p-tert-butyl,4-tert-butylphenethyl alcohol,unii-aes74i7nru,aes74i7nru,benzeneethanol, 4-1,1-dimethylethyl PubChem CID: 79410 IUPAC Name: 2-(4-tert-butylphenyl)ethanol SMILES: CC(C)(C)C1=CC=C(C=C1)CCO

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Specifications

PubChem CID	79410
CAS	5406-86-0
Molecular Weight (g/mol)	178.275
MDL Number	MFCD00236023
SMILES	CC(C)(C)C1=CC=C(C=C1)CCO
Synonym	2-4-tert-butylphenyl ethanol,2-4-tert-butyl phenyl ethanol,p-tert-butylphenethyl alcohol,p-tert-butyl phenethyl alcohol,phenethyl alcohol, p-tert-butyl,4-tert-butylphenethyl alcohol,unii-aes74i7nru,aes74i7nru,benzeneethanol, 4-1,1-dimethylethyl
IUPAC Name	2-(4-tert-butylphenyl)ethanol
InChI Key	NZGMMENPUKHODD-UHFFFAOYSA-N
Molecular Formula	C12H18O

1,819

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2-Chloro-5-(trifluoromethyl)phenylacetic acid, 97%

CAS: 22893-39-6 Molecular Formula: C9H6ClF3O2 Molecular Weight (g/mol): 238.59 MDL Number: MFCD01631471 InChI Key: PDKWZFJSOMUXLE-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenylacetic acid,2-2-chloro-5-trifluoromethyl phenyl acetic acid,2-chloro-5-trifluoromethyl phenyl acetic acid,pubchem7160,acmc-20anz9,2-chloro-5-trifluoromethyl-phenyl-acetic acid,benzeneacetic acid, 2-chloro-5-trifluoromethyl PubChem CID: 2778119 IUPAC Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid SMILES: OC(=O)CC1=CC(=CC=C1Cl)C(F)(F)F

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Specifications

PubChem CID	2778119
CAS	22893-39-6
Molecular Weight (g/mol)	238.59
MDL Number	MFCD01631471
SMILES	OC(=O)CC1=CC(=CC=C1Cl)C(F)(F)F
Synonym	2-chloro-5-trifluoromethyl phenylacetic acid,2-2-chloro-5-trifluoromethyl phenyl acetic acid,2-chloro-5-trifluoromethyl phenyl acetic acid,pubchem7160,acmc-20anz9,2-chloro-5-trifluoromethyl-phenyl-acetic acid,benzeneacetic acid, 2-chloro-5-trifluoromethyl
IUPAC Name	2-[2-chloro-5-(trifluoromethyl)phenyl]acetic acid
InChI Key	PDKWZFJSOMUXLE-UHFFFAOYSA-N
Molecular Formula	C9H6ClF3O2

1,820

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alpha-Methylstyrene, 99%, stab. with 10-20 ppm 4-tert-butylcatechol

CAS: 98-83-9 Molecular Formula: C9H10 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00008859 InChI Key: XYLMUPLGERFSHI-UHFFFAOYSA-N Synonym: alpha-methylstyrene,2-phenylpropene,2-phenyl-1-propene,isopropenylbenzene,benzene, 1-methylethenyl,2-phenylpropylene,1-methyl-1-phenylethylene,alpha-methylstyrol,as-methylphenylethylene,1-phenyl-1-methylethylene PubChem CID: 7407 ChEBI: CHEBI:35060 IUPAC Name: prop-1-en-2-ylbenzene SMILES: CC(=C)C1=CC=CC=C1

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Specifications

PubChem CID	7407
CAS	98-83-9
Molecular Weight (g/mol)	118.18
ChEBI	CHEBI:35060
MDL Number	MFCD00008859
SMILES	CC(=C)C1=CC=CC=C1
Synonym	alpha-methylstyrene,2-phenylpropene,2-phenyl-1-propene,isopropenylbenzene,benzene, 1-methylethenyl,2-phenylpropylene,1-methyl-1-phenylethylene,alpha-methylstyrol,as-methylphenylethylene,1-phenyl-1-methylethylene
IUPAC Name	prop-1-en-2-ylbenzene
InChI Key	XYLMUPLGERFSHI-UHFFFAOYSA-N
Molecular Formula	C9H10

1,821

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4-Nitrobenzyl chloride, 99%

CAS: 100-14-1 Molecular Formula: C₇H₆ClNO₂ Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007374 InChI Key: KGCNHWXDPDPSBV-UHFFFAOYSA-N Synonym: 4-nitrobenzyl chloride,1-chloromethyl-4-nitrobenzene,p-nitrobenzyl chloride,alpha-chloro-4-nitrotoluene,4-nitrobenzylchloride,benzene, 1-chloromethyl-4-nitro,alpha-chloro-p-nitrotoluene,p-chloromethyl nitrobenzene,4-chloromethyl nitrobenzene,unii-3bld9lvt3x PubChem CID: 7482 ChEBI: CHEBI:87406 IUPAC Name: 1-(chloromethyl)-4-nitrobenzene SMILES: C1=CC(=CC=C1CCl)[N+](=O)[O-]

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Specifications

PubChem CID	7482
CAS	100-14-1
Molecular Weight (g/mol)	171.58
ChEBI	CHEBI:87406
MDL Number	MFCD00007374
SMILES	C1=CC(=CC=C1CCl)[N+](=O)[O-]
Synonym	4-nitrobenzyl chloride,1-chloromethyl-4-nitrobenzene,p-nitrobenzyl chloride,alpha-chloro-4-nitrotoluene,4-nitrobenzylchloride,benzene, 1-chloromethyl-4-nitro,alpha-chloro-p-nitrotoluene,p-chloromethyl nitrobenzene,4-chloromethyl nitrobenzene,unii-3bld9lvt3x
IUPAC Name	1-(chloromethyl)-4-nitrobenzene
InChI Key	KGCNHWXDPDPSBV-UHFFFAOYSA-N
Molecular Formula	C₇H₆ClNO₂

1,822

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Cumene, 98%, pure

CAS: 98-82-8 MDL Number: MFCD00008881 InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N Synonym: isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano PubChem CID: 7406 ChEBI: CHEBI:34656 IUPAC Name: cumene SMILES: CC(C)C1=CC=CC=C1

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Specifications

PubChem CID	7406
CAS	98-82-8
ChEBI	CHEBI:34656
MDL Number	MFCD00008881
SMILES	CC(C)C1=CC=CC=C1
Synonym	isopropylbenzene,2-phenylpropane,cumol,benzene, 1-methylethyl,1-methylethyl benzene,isopropylbenzol,cumeen,isopropilbenzene,isopropylbenzeen,2-fenilpropano
IUPAC Name	cumene
InChI Key	RWGFKTVRMDUZSP-UHFFFAOYSA-N

1,823

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Cinnamonitrile, 97%, predominantly trans

CAS: 1885-38-7 Molecular Formula: C₉H₇N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00001930 InChI Key: ZWKNLRXFUTWSOY-QPJJXVBHSA-N Synonym: cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile PubChem CID: 1550846 IUPAC Name: (E)-3-phenylprop-2-enenitrile SMILES: C1=CC=C(C=C1)C=CC#N

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Specifications

PubChem CID	1550846
CAS	1885-38-7
Molecular Weight (g/mol)	129.16
MDL Number	MFCD00001930
SMILES	C1=CC=C(C=C1)C=CC#N
Synonym	cinnamonitrile,trans-cinnamonitrile,styryl cyanide,cinnamyl nitrile,3-phenylacrylonitrile,beta-cyanostyrene,cinnamonitrile, e,3-phenyl-2-propenenitrile,acrylonitrile, 3-phenyl,e-3-phenylprop-2-enenitrile
IUPAC Name	(E)-3-phenylprop-2-enenitrile
InChI Key	ZWKNLRXFUTWSOY-QPJJXVBHSA-N
Molecular Formula	C₉H₇N

1,824

2-Methylanisole, 99%

CAS: 578-58-5 Molecular Formula: C₈H₁₀O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00008373 InChI Key: DTFKRVXLBCAIOZ-UHFFFAOYSA-N Synonym: 2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene PubChem CID: 33637 IUPAC Name: 1-methoxy-2-methylbenzene SMILES: CC1=CC=CC=C1OC

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Specifications

PubChem CID	33637
CAS	578-58-5
Molecular Weight (g/mol)	122.17
MDL Number	MFCD00008373
SMILES	CC1=CC=CC=C1OC
Synonym	2-methylanisole,o-methylanisole,2-methoxytoluene,o-cresol methyl ether,o-cresyl methyl ether,anisole, o-methyl,benzene, 1-methoxy-2-methyl,methyl o-tolyl ether,o-methoxytoluene,2-methylmethoxybenzene
IUPAC Name	1-methoxy-2-methylbenzene
InChI Key	DTFKRVXLBCAIOZ-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O

1,825

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4-Nitrobenzyl alcohol, 99%

CAS: 619-73-8 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007376 InChI Key: JKTYGPATCNUWKN-UHFFFAOYSA-N Synonym: 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m PubChem CID: 69275 ChEBI: CHEBI:41214 IUPAC Name: (4-nitrophenyl)methanol SMILES: OCC1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	69275
CAS	619-73-8
Molecular Weight (g/mol)	153.14
ChEBI	CHEBI:41214
MDL Number	MFCD00007376
SMILES	OCC1=CC=C(C=C1)[N+]([O-])=O
Synonym	4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m
IUPAC Name	(4-nitrophenyl)methanol
InChI Key	JKTYGPATCNUWKN-UHFFFAOYSA-N
Molecular Formula	C7H7NO3

1,826

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4-Nitrobenzenesulfonamide, 97%

CAS: 6325-93-5 Molecular Formula: C6H6N2O4S Molecular Weight (g/mol): 202.18 MDL Number: MFCD00007937 InChI Key: QWKKYJLAUWFPDB-UHFFFAOYSA-N Synonym: benzenesulfonamide, 4-nitro,p-nitrobenzenesulfonamide,4-nitrobenzolesulfamide,p-nitrophenylsulfonamide,4-nitrobenzenesulphonamide,benzenesulfonamide, p-nitro,4-nitro-benzenesulfonamide,unii-tuf52o8y8b,tuf52o8y8b,4-nitrobenzene-1-sulfonamide PubChem CID: 22784 IUPAC Name: 4-nitrobenzenesulfonamide SMILES: NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O

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Specifications

PubChem CID	22784
CAS	6325-93-5
Molecular Weight (g/mol)	202.18
MDL Number	MFCD00007937
SMILES	NS(=O)(=O)C1=CC=C(C=C1)[N+]([O-])=O
Synonym	benzenesulfonamide, 4-nitro,p-nitrobenzenesulfonamide,4-nitrobenzolesulfamide,p-nitrophenylsulfonamide,4-nitrobenzenesulphonamide,benzenesulfonamide, p-nitro,4-nitro-benzenesulfonamide,unii-tuf52o8y8b,tuf52o8y8b,4-nitrobenzene-1-sulfonamide
IUPAC Name	4-nitrobenzenesulfonamide
InChI Key	QWKKYJLAUWFPDB-UHFFFAOYSA-N
Molecular Formula	C6H6N2O4S

1,827

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Homovanillic acid, 98%

CAS: 306-08-1 Molecular Formula: C₉H₁₀O₄ Molecular Weight (g/mol): 182.18 MDL Number: MFCD00004350 InChI Key: QRMZSPFSDQBLIX-UHFFFAOYSA-N Synonym: homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid PubChem CID: 1738 ChEBI: CHEBI:545959 IUPAC Name: 2-(4-hydroxy-3-methoxyphenyl)acetic acid SMILES: COC1=C(C=CC(=C1)CC(=O)O)O

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Specifications

PubChem CID	1738
CAS	306-08-1
Molecular Weight (g/mol)	182.18
ChEBI	CHEBI:545959
MDL Number	MFCD00004350
SMILES	COC1=C(C=CC(=C1)CC(=O)O)O
Synonym	homovanillic acid,4-hydroxy-3-methoxyphenylacetic acid,2-4-hydroxy-3-methoxyphenyl acetic acid,vanillacetic acid,benzeneacetic acid, 4-hydroxy-3-methoxy,3-methoxy-4-hydroxyphenylacetic acid,homovaniuic acid,4-hydroxy-3-methoxyphenyl acetic acid,homovanillate,4-hydroxy-3-methoxybenzeneacetic acid
IUPAC Name	2-(4-hydroxy-3-methoxyphenyl)acetic acid
InChI Key	QRMZSPFSDQBLIX-UHFFFAOYSA-N
Molecular Formula	C₉H₁₀O₄

1,828

[3-(2-Morpholinoethoxy)phenyl]methanol, 97%, Thermo Scientific™

CAS: 857284-07-2 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD07772846 InChI Key: DZHYOLUKMGNRTO-UHFFFAOYSA-N Synonym: 3-2-morpholinoethoxy phenyl methanol,3-2-morpholin-4-yl ethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methan-1-ol PubChem CID: 7164622 IUPAC Name: [3-(2-morpholin-4-ylethoxy)phenyl]methanol SMILES: C1COCCN1CCOC2=CC=CC(=C2)CO

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Specifications

PubChem CID	7164622
CAS	857284-07-2
Molecular Weight (g/mol)	237.299
MDL Number	MFCD07772846
SMILES	C1COCCN1CCOC2=CC=CC(=C2)CO
Synonym	3-2-morpholinoethoxy phenyl methanol,3-2-morpholin-4-yl ethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methanol,3-2-morpholin-4-ylethoxy phenyl methan-1-ol
IUPAC Name	[3-(2-morpholin-4-ylethoxy)phenyl]methanol
InChI Key	DZHYOLUKMGNRTO-UHFFFAOYSA-N
Molecular Formula	C13H19NO3

1,829

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2-(Trifluoromethyl)benzoic acid, 98%

CAS: 433-97-6 Molecular Formula: C8H5F3O2 Molecular Weight (g/mol): 190.12 MDL Number: MFCD00002476 InChI Key: FBRJYBGLCHWYOE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid PubChem CID: 9899 ChEBI: CHEBI:60694 IUPAC Name: 2-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=CC=C1C(F)(F)F

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Specifications

PubChem CID	9899
CAS	433-97-6
Molecular Weight (g/mol)	190.12
ChEBI	CHEBI:60694
MDL Number	MFCD00002476
SMILES	OC(=O)C1=CC=CC=C1C(F)(F)F
Synonym	2-trifluoromethyl benzoic acid,o-trifluoromethylbenzoic acid,alpha,alpha,alpha-trifluoro-o-toluic acid,o-carboxybenzotrifluoride,2-carboxybenzotrifluoride,unii-0r1ck7mzua,trifluoromethylbenzoic acid,2-trifluoromethyl benzoate,2-trifluromethylbenzoic acid,trifluoromethyl benzoic acid
IUPAC Name	2-(trifluoromethyl)benzoic acid
InChI Key	FBRJYBGLCHWYOE-UHFFFAOYSA-N
Molecular Formula	C8H5F3O2

1,830

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Phenoxyacetic acid, 98+%

CAS: 122-59-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00004296 InChI Key: LCPDWSOZIOUXRV-UHFFFAOYSA-N Synonym: phenoxyacetic acid,phenoxyethanoic acid,acetic acid, phenoxy,glycolic acid phenyl ether,phenoxy acetic acid,glycol acid phenyl ether,o-phenylglycolic acid,phenoxyacetate,glycollic acid phenyl ether,acide phenoxyacetique PubChem CID: 19188 ChEBI: CHEBI:8075 IUPAC Name: 2-phenoxyacetic acid SMILES: OC(=O)COC1=CC=CC=C1

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Specifications

PubChem CID	19188
CAS	122-59-8
Molecular Weight (g/mol)	152.15
ChEBI	CHEBI:8075
MDL Number	MFCD00004296
SMILES	OC(=O)COC1=CC=CC=C1
Synonym	phenoxyacetic acid,phenoxyethanoic acid,acetic acid, phenoxy,glycolic acid phenyl ether,phenoxy acetic acid,glycol acid phenyl ether,o-phenylglycolic acid,phenoxyacetate,glycollic acid phenyl ether,acide phenoxyacetique
IUPAC Name	2-phenoxyacetic acid
InChI Key	LCPDWSOZIOUXRV-UHFFFAOYSA-N
Molecular Formula	C8H8O3

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