Benzenoids

Organic compounds that are derived from or have a benzene group in their molecular structure. Benzene is an aromatic organic molecule composed of 6 carbon atoms and 6 hydrogen atoms that form a ring. Includes derivatives and substituted molecules.

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3,031 – 3,045 of 78,615 results

3,031

4-Amino-3-nitrophenol, 98%

CAS: 610-81-1 Molecular Formula: C6H6N2O3 Molecular Weight (g/mol): 154.125 MDL Number: MFCD00066310 InChI Key: IQXUIDYRTHQTET-UHFFFAOYSA-N Synonym: 4-hydroxy-2-nitroaniline,3-nitro-4-aminophenol,phenol, 4-amino-3-nitro,4-amino-3-nitro-phenol,unii-r5wy41q95z,3-nitro-4-amino phenol,4-aminophenol-3-nitrophenol,pubchem1481,4-amino-3-nitropbenol PubChem CID: 3758882 IUPAC Name: 4-amino-3-nitrophenol SMILES: C1=CC(=C(C=C1O)[N+](=O)[O-])N

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Specifications

PubChem CID	3758882
CAS	610-81-1
Molecular Weight (g/mol)	154.125
MDL Number	MFCD00066310
SMILES	C1=CC(=C(C=C1O)[N+](=O)[O-])N
Synonym	4-hydroxy-2-nitroaniline,3-nitro-4-aminophenol,phenol, 4-amino-3-nitro,4-amino-3-nitro-phenol,unii-r5wy41q95z,3-nitro-4-amino phenol,4-aminophenol-3-nitrophenol,pubchem1481,4-amino-3-nitropbenol
IUPAC Name	4-amino-3-nitrophenol
InChI Key	IQXUIDYRTHQTET-UHFFFAOYSA-N
Molecular Formula	C6H6N2O3

3,032

2,3,4,5,6-Pentafluorophenylacetic acid, 98+%

CAS: 653-21-4 Molecular Formula: C8H3F5O2 Molecular Weight (g/mol): 226.102 MDL Number: MFCD00004316 InChI Key: LGCODSNZJOVMHV-UHFFFAOYSA-N Synonym: pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid PubChem CID: 69553 IUPAC Name: 2-(2,3,4,5,6-pentafluorophenyl)acetic acid SMILES: C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O

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Specifications

PubChem CID	69553
CAS	653-21-4
Molecular Weight (g/mol)	226.102
MDL Number	MFCD00004316
SMILES	C(C1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O
Synonym	pentafluorophenylacetic acid,2,3,4,5,6-pentafluorophenylacetic acid,pentafluorophenyl acetic acid,2-perfluorophenyl acetic acid,2-2,3,4,5,6-pentafluorophenyl acetic acid,2,3,4,5,6-pentafluorphenylacetic acid,benzeneacetic acid, 2,3,4,5,6-pentafluoro,acmc-20aoj2,pentafluorophenylaceticacid,2-pentafluorophenyl acetic acid
IUPAC Name	2-(2,3,4,5,6-pentafluorophenyl)acetic acid
InChI Key	LGCODSNZJOVMHV-UHFFFAOYSA-N
Molecular Formula	C8H3F5O2

3,033

4-Isopropylphenol, 98%

CAS: 99-89-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00002372 InChI Key: YQUQWHNMBPIWGK-UHFFFAOYSA-N Synonym: 4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol PubChem CID: 7465 IUPAC Name: 4-propan-2-ylphenol SMILES: CC(C)C1=CC=C(C=C1)O

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Specifications

PubChem CID	7465
CAS	99-89-8
Molecular Weight (g/mol)	136.194
MDL Number	MFCD00002372
SMILES	CC(C)C1=CC=C(C=C1)O
Synonym	4-isopropylphenol,p-isopropylphenol,p-cumenol,australol,phenol, 4-1-methylethyl,4-1-methylethyl phenol,1-hydroxy-4-isopropylbenzene,4-propan-2-yl phenol,phenol, p-isopropyl,para-isopropylphenol
IUPAC Name	4-propan-2-ylphenol
InChI Key	YQUQWHNMBPIWGK-UHFFFAOYSA-N
Molecular Formula	C9H12O

3,034

2,4-Difluorobenzenesulfonamide, 96%, Thermo Scientific Chemicals

CAS: 13656-60-5 Molecular Formula: C6H5F2NO2S Molecular Weight (g/mol): 193.168 MDL Number: MFCD01320743 InChI Key: PTHLPYKPCQLAOF-UHFFFAOYSA-N PubChem CID: 574964 IUPAC Name: 2,4-difluorobenzenesulfonamide SMILES: C1=CC(=C(C=C1F)F)S(=O)(=O)N

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Specifications

PubChem CID	574964
CAS	13656-60-5
Molecular Weight (g/mol)	193.168
MDL Number	MFCD01320743
SMILES	C1=CC(=C(C=C1F)F)S(=O)(=O)N
IUPAC Name	2,4-difluorobenzenesulfonamide
InChI Key	PTHLPYKPCQLAOF-UHFFFAOYSA-N
Molecular Formula	C6H5F2NO2S

3,035

4-(Trifluoromethyl)benzenesulfonamide, 97%

CAS: 830-43-3 Molecular Formula: C7H6F3NO2S Molecular Weight (g/mol): 225.185 MDL Number: MFCD00159251 InChI Key: TVHXQQJDMHKGGK-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzene-1-sulfonamide,benzenesulfonamide, p-trifluoromethyl,4-trifluoromethylbenzenesulphonamide,p-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzenesulphonamide,benzenesulfonamide, 4-trifluoromethyl,p-trifluoromethylbenzenesulfonamide,alpha,alpha,alpha-trifluoro-p-toluenesulphonamide,pubchem11767 PubChem CID: 70018 IUPAC Name: 4-(trifluoromethyl)benzenesulfonamide SMILES: C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)N

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Specifications

PubChem CID	70018
CAS	830-43-3
Molecular Weight (g/mol)	225.185
MDL Number	MFCD00159251
SMILES	C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)N
Synonym	4-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzene-1-sulfonamide,benzenesulfonamide, p-trifluoromethyl,4-trifluoromethylbenzenesulphonamide,p-trifluoromethyl benzenesulfonamide,4-trifluoromethyl benzenesulphonamide,benzenesulfonamide, 4-trifluoromethyl,p-trifluoromethylbenzenesulfonamide,alpha,alpha,alpha-trifluoro-p-toluenesulphonamide,pubchem11767
IUPAC Name	4-(trifluoromethyl)benzenesulfonamide
InChI Key	TVHXQQJDMHKGGK-UHFFFAOYSA-N
Molecular Formula	C7H6F3NO2S

3,036

Tolbutamide, 98%

CAS: 64-77-7 Molecular Formula: C12H18N2O3S Molecular Weight (g/mol): 270.347 MDL Number: MFCD00027169 InChI Key: JLRGJRBPOGGCBT-UHFFFAOYSA-N Synonym: tolbutamide,orinase,1-butyl-3-tosylurea,tolbutamid,aglicid,arkozal,artosin,diabetol,dolipol,rastinon PubChem CID: 5505 ChEBI: CHEBI:27999 IUPAC Name: 1-butyl-3-(4-methylphenyl)sulfonylurea SMILES: CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C

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Specifications

PubChem CID	5505
CAS	64-77-7
Molecular Weight (g/mol)	270.347
ChEBI	CHEBI:27999
MDL Number	MFCD00027169
SMILES	CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C
Synonym	tolbutamide,orinase,1-butyl-3-tosylurea,tolbutamid,aglicid,arkozal,artosin,diabetol,dolipol,rastinon
IUPAC Name	1-butyl-3-(4-methylphenyl)sulfonylurea
InChI Key	JLRGJRBPOGGCBT-UHFFFAOYSA-N
Molecular Formula	C12H18N2O3S

3,037

2-Methoxy-5-sulfamoylbenzoic acid, 97%

CAS: 22117-85-7 Molecular Formula: C8H9NO5S Molecular Weight (g/mol): 231.222 MDL Number: MFCD00129997 InChI Key: SQAILWDRVDGLGY-UHFFFAOYSA-N Synonym: 2-methoxy-5-aminosulfonylbenzoic acid,benzoic acid, 5-aminosulfonyl-2-methoxy,5-sulphamoyl-o-anisic acid,2-methoxy-5-sulfonylbenzoic acid,sulpiride impurity d,acmc-209fsc,2-methoxy-5-sulfamoylbenzoicacid,2-methoxy-5-sulphamoylbenzoic acid,2-methoxy-5-sulfamoyl benzoic acid,2-methoxy-5-sulfamoyl-benzoic acid PubChem CID: 89601 IUPAC Name: 2-methoxy-5-sulfamoylbenzoic acid SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O

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Specifications

PubChem CID	89601
CAS	22117-85-7
Molecular Weight (g/mol)	231.222
MDL Number	MFCD00129997
SMILES	COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)O
Synonym	2-methoxy-5-aminosulfonylbenzoic acid,benzoic acid, 5-aminosulfonyl-2-methoxy,5-sulphamoyl-o-anisic acid,2-methoxy-5-sulfonylbenzoic acid,sulpiride impurity d,acmc-209fsc,2-methoxy-5-sulfamoylbenzoicacid,2-methoxy-5-sulphamoylbenzoic acid,2-methoxy-5-sulfamoyl benzoic acid,2-methoxy-5-sulfamoyl-benzoic acid
IUPAC Name	2-methoxy-5-sulfamoylbenzoic acid
InChI Key	SQAILWDRVDGLGY-UHFFFAOYSA-N
Molecular Formula	C8H9NO5S

3,038

3-Bromobenzenesulfonamide, 97%

CAS: 89599-01-9 Molecular Formula: C6H6BrNO2S Molecular Weight (g/mol): 236.083 MDL Number: MFCD00084903 InChI Key: MUBJNMWVQGHHLG-UHFFFAOYSA-N Synonym: 3-bromobenzenesulphonamide,3-bromobenzene-1-sulfonamide,benzenesulfonamide, 3-bromo,3-bromo-benzenesulfonamide,3-bromobenesulfonamide,3-bromo-benzenesulfonic acid amide,3-bromanylbenzenesulfonamide,pubchem11759,3-bromophenylsulfonamide,m-bromobenzenesulfonamide PubChem CID: 2734765 IUPAC Name: 3-bromobenzenesulfonamide SMILES: C1=CC(=CC(=C1)Br)S(=O)(=O)N

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Specifications

PubChem CID	2734765
CAS	89599-01-9
Molecular Weight (g/mol)	236.083
MDL Number	MFCD00084903
SMILES	C1=CC(=CC(=C1)Br)S(=O)(=O)N
Synonym	3-bromobenzenesulphonamide,3-bromobenzene-1-sulfonamide,benzenesulfonamide, 3-bromo,3-bromo-benzenesulfonamide,3-bromobenesulfonamide,3-bromo-benzenesulfonic acid amide,3-bromanylbenzenesulfonamide,pubchem11759,3-bromophenylsulfonamide,m-bromobenzenesulfonamide
IUPAC Name	3-bromobenzenesulfonamide
InChI Key	MUBJNMWVQGHHLG-UHFFFAOYSA-N
Molecular Formula	C6H6BrNO2S

3,039

Anisonitrile, 99%

CAS: 874-90-8 Molecular Formula: C₈H₇NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001818 InChI Key: XDJAAZYHCCRJOK-UHFFFAOYSA-N Synonym: anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile PubChem CID: 70129 IUPAC Name: 4-methoxybenzonitrile SMILES: COC1=CC=C(C=C1)C#N

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Specifications

PubChem CID	70129
CAS	874-90-8
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00001818
SMILES	COC1=CC=C(C=C1)C#N
Synonym	anisonitrile,p-anisonitrile,4-cyanoanisole,benzonitrile, 4-methoxy,p-methoxybenzonitrile,4-anisonitrile,p-anisylnitrile,p-cyanoanisole,p-methoxyphenyl cyanide,4-methoxy benzonitrile
IUPAC Name	4-methoxybenzonitrile
InChI Key	XDJAAZYHCCRJOK-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO

3,040

2-Methoxybenzonitrile, 99%

CAS: 6609-56-9 Molecular Formula: C₈H₇NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001783 InChI Key: FSTPMFASNVISBU-UHFFFAOYSA-N Synonym: 2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile PubChem CID: 81086 IUPAC Name: 2-methoxybenzonitrile SMILES: COC1=CC=CC=C1C#N

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Specifications

PubChem CID	81086
CAS	6609-56-9
Molecular Weight (g/mol)	133.15
MDL Number	MFCD00001783
SMILES	COC1=CC=CC=C1C#N
Synonym	2-cyanoanisole,o-methoxybenzonitrile,2-methoxy-benzonitrile,benzonitrile, 2-methoxy,2-methoxybenzenecarbonitrile,o-anisolnitrile,o-anisonitrile,methoxybenzonitrile,2-methxybenzonitrile,o-methyoxybenzonitrile
IUPAC Name	2-methoxybenzonitrile
InChI Key	FSTPMFASNVISBU-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO

3,041

2-Bromo-4-fluoroanisole, 98%

CAS: 452-08-4 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.03 MDL Number: MFCD00012014 InChI Key: JIQXVIJARQLCOY-UHFFFAOYSA-N Synonym: 2-bromo-4-fluoroanisole,benzene, 2-bromo-4-fluoro-1-methoxy,2-bromo-4-fluoro anisole,1-bromo-3-fluoro-6-methoxybenzene,2-bromo-4-fluoro-methoxybenzene,2-bromo-4-fluoro-1-methoxy-benzene,1-bromo-5-fluoro-2-methoxybenzene,attercop-chm at106665,pubchem1972,2-bromo-4-fluoroanisol PubChem CID: 136292 IUPAC Name: 2-bromo-4-fluoro-1-methoxybenzene SMILES: COC1=CC=C(F)C=C1Br

Pricing & Availability
Specifications

PubChem CID	136292
CAS	452-08-4
Molecular Weight (g/mol)	205.03
MDL Number	MFCD00012014
SMILES	COC1=CC=C(F)C=C1Br
Synonym	2-bromo-4-fluoroanisole,benzene, 2-bromo-4-fluoro-1-methoxy,2-bromo-4-fluoro anisole,1-bromo-3-fluoro-6-methoxybenzene,2-bromo-4-fluoro-methoxybenzene,2-bromo-4-fluoro-1-methoxy-benzene,1-bromo-5-fluoro-2-methoxybenzene,attercop-chm at106665,pubchem1972,2-bromo-4-fluoroanisol
IUPAC Name	2-bromo-4-fluoro-1-methoxybenzene
InChI Key	JIQXVIJARQLCOY-UHFFFAOYSA-N
Molecular Formula	C7H6BrFO

3,042

3,5-Difluoroanisole, 97%, Thermo Scientific Chemicals

CAS: 93343-10-3 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.12 MDL Number: MFCD00042560 InChI Key: OTGQPYSISUUHAF-UHFFFAOYSA-N Synonym: 3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole; PubChem CID: 2724518 IUPAC Name: 1,3-difluoro-5-methoxybenzene SMILES: COC1=CC(F)=CC(F)=C1

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Specifications

PubChem CID	2724518
CAS	93343-10-3
Molecular Weight (g/mol)	144.12
MDL Number	MFCD00042560
SMILES	COC1=CC(F)=CC(F)=C1
Synonym	3,5-difluoroanisole,3,5-difluoro-1-methoxybenzene,benzene, 1,3-difluoro-5-methoxy,1,3-difluoro-5-methoxy-benzene,3,5-difluoro anisole,3,5-difluoroanisol,3.5-difluoroanisole,pubchem1967,3,5-difluoroanisole;,3,5,-difluoroanisole;
IUPAC Name	1,3-difluoro-5-methoxybenzene
InChI Key	OTGQPYSISUUHAF-UHFFFAOYSA-N
Molecular Formula	C7H6F2O

3,043

Ethyl 4-methoxyphenylacetate, 97%

CAS: 14062-18-1 Molecular Formula: C₁₁H₁₄O₃ Molecular Weight (g/mol): 194.23 MDL Number: MFCD00040760 InChI Key: DOCCDOCIYYDLGJ-UHFFFAOYSA-N Synonym: ethyl 2-4-methoxyphenyl acetate,ethyl 4-methoxyphenylacetate,4-methoxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-methoxy-, ethyl ester,ethyl p-methoxyphenylacetate,ethyl 4-methoxyphenyl acetate,4-methoxy-phenyl-acetic acid ethyl ester,acmc-1bnx2,homoanisic acid ethyl ester PubChem CID: 84174 IUPAC Name: ethyl 2-(4-methoxyphenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)OC

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Specifications

PubChem CID	84174
CAS	14062-18-1
Molecular Weight (g/mol)	194.23
MDL Number	MFCD00040760
SMILES	CCOC(=O)CC1=CC=C(C=C1)OC
Synonym	ethyl 2-4-methoxyphenyl acetate,ethyl 4-methoxyphenylacetate,4-methoxyphenylacetic acid ethyl ester,benzeneacetic acid, 4-methoxy-, ethyl ester,ethyl p-methoxyphenylacetate,ethyl 4-methoxyphenyl acetate,4-methoxy-phenyl-acetic acid ethyl ester,acmc-1bnx2,homoanisic acid ethyl ester
IUPAC Name	ethyl 2-(4-methoxyphenyl)acetate
InChI Key	DOCCDOCIYYDLGJ-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₄O₃

3,044

4-Bromo-2-methylanisole, 98+%

CAS: 14804-31-0 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD01321139 InChI Key: UDLRGQOHGYWLCS-UHFFFAOYSA-N Synonym: 4-bromo-2-methylanisole,5-bromo-2-methoxytoluene,benzene, 4-bromo-1-methoxy-2-methyl,4-bromo-1-methoxy-2-methyl-benzene,2-methyl-4-bromoanisole,4-bromo2-methylanisole,acmc-1cfej,4-bromo2-methyl-anisole,4-bromo-2-methyl anisole,4-bromo-2-methyl-anisole PubChem CID: 608315 IUPAC Name: 4-bromo-1-methoxy-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Br)OC

Pricing & Availability
Specifications

PubChem CID	608315
CAS	14804-31-0
Molecular Weight (g/mol)	201.063
MDL Number	MFCD01321139
SMILES	CC1=C(C=CC(=C1)Br)OC
Synonym	4-bromo-2-methylanisole,5-bromo-2-methoxytoluene,benzene, 4-bromo-1-methoxy-2-methyl,4-bromo-1-methoxy-2-methyl-benzene,2-methyl-4-bromoanisole,4-bromo2-methylanisole,acmc-1cfej,4-bromo2-methyl-anisole,4-bromo-2-methyl anisole,4-bromo-2-methyl-anisole
IUPAC Name	4-bromo-1-methoxy-2-methylbenzene
InChI Key	UDLRGQOHGYWLCS-UHFFFAOYSA-N
Molecular Formula	C8H9BrO

3,045

4-(Trifluoromethoxy)anisole, 98+%

CAS: 710-18-9 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.137 MDL Number: MFCD00216942 InChI Key: NOAFZIOGGDPYKK-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3 PubChem CID: 2724973 IUPAC Name: 1-methoxy-4-(trifluoromethoxy)benzene SMILES: COC1=CC=C(C=C1)OC(F)(F)F

Pricing & Availability
Specifications

PubChem CID	2724973
CAS	710-18-9
Molecular Weight (g/mol)	192.137
MDL Number	MFCD00216942
SMILES	COC1=CC=C(C=C1)OC(F)(F)F
Synonym	4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3
IUPAC Name	1-methoxy-4-(trifluoromethoxy)benzene
InChI Key	NOAFZIOGGDPYKK-UHFFFAOYSA-N
Molecular Formula	C8H7F3O2

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