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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.
Benzene and substituted derivatives (129,840)
Phenols (24,890)
Naphthalenes (6,294)
Phenol esters (4,685)
Unsubstituted Phenols (1,453)
Fluorenes (1,282)
Thiophenols (748)
Anthracenes (509)
Indanes (489)
Phenanthrenes and derivatives (364)
Tetralins (340)
Pyrenes (285)
Triphenyl compounds (280)
Dibenzocycloheptenes (60)
Naphthacenes (35)
Ellagic acids and derivatives (33)
Pentacenes (20)
Acenaphthylenes (17)
Pentacenequinones (16)
Perylenequinones (8)
1-hydroxylamino 2-unsubstituted benzenoids (5)

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1,036 – 1,050 of 158,365 results
1,036
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(1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate, 97%

CAS: 737000-89-4 Molecular Formula: C14H17NOS Molecular Weight (g/mol): 247.356 MDL Number: MFCD05664047 InChI Key: DNRPSBSMXLYTQF-KBPBESRZSA-N Synonym: 1s,2s-+-2-benzyloxycyclohexyl isothiocyanate,1s,2s-2-isothiocyanatocyclohexyl oxy methyl benzene,1s,2s-2-phenylmethoxy cyclohexanisothiocyanate PubChem CID: 11863573 IUPAC Name: [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene SMILES: C1CCC(C(C1)N=C=S)OCC2=CC=CC=C2

PubChem CID 11863573
CAS 737000-89-4
Molecular Weight (g/mol) 247.356
MDL Number MFCD05664047
SMILES C1CCC(C(C1)N=C=S)OCC2=CC=CC=C2
Synonym 1s,2s-+-2-benzyloxycyclohexyl isothiocyanate,1s,2s-2-isothiocyanatocyclohexyl oxy methyl benzene,1s,2s-2-phenylmethoxy cyclohexanisothiocyanate
IUPAC Name [(1S,2S)-2-isothiocyanatocyclohexyl]oxymethylbenzene
InChI Key DNRPSBSMXLYTQF-KBPBESRZSA-N
Molecular Formula C14H17NOS
1,037
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2-Chloro-5-(trifluoromethyl)benzeneboronic acid, 96%

CAS: 182344-18-9 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD00797335 InChI Key: YVMXEHZEYONARR-UHFFFAOYSA-N Synonym: 2-chloro-5-trifluoromethyl phenylboronic acid,2-chloro-5-trifluoromethyl benzeneboronic acid,2-chloro-5-trifluoromethylphenylboronic acid,2-chloro-5-trifluoromethyl phenyl boronic acid,2-chloro-5-trifluoromethyl phenylboronicacid,boronic acid, 2-chloro-5-trifluoromethyl phenyl,pubchem1800,acmc-1c23a,ksc489k6p PubChem CID: 2782670 IUPAC Name: [2-chloro-5-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O

PubChem CID 2782670
CAS 182344-18-9
Molecular Weight (g/mol) 224.37
MDL Number MFCD00797335
SMILES B(C1=C(C=CC(=C1)C(F)(F)F)Cl)(O)O
Synonym 2-chloro-5-trifluoromethyl phenylboronic acid,2-chloro-5-trifluoromethyl benzeneboronic acid,2-chloro-5-trifluoromethylphenylboronic acid,2-chloro-5-trifluoromethyl phenyl boronic acid,2-chloro-5-trifluoromethyl phenylboronicacid,boronic acid, 2-chloro-5-trifluoromethyl phenyl,pubchem1800,acmc-1c23a,ksc489k6p
IUPAC Name [2-chloro-5-(trifluoromethyl)phenyl]boronic acid
InChI Key YVMXEHZEYONARR-UHFFFAOYSA-N
Molecular Formula C7H5BClF3O2
1,038
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2-Chloro-4-(trifluoromethyl)benzeneboronic acid, 96%

CAS: 254993-59-4 Molecular Formula: C7H5BClF3O2 Molecular Weight (g/mol): 224.37 MDL Number: MFCD02684337 InChI Key: JKSUCAFAUNSPLO-UHFFFAOYSA-N Synonym: 2-chloro-4-trifluoromethyl phenylboronic acid,2-chloro-4-trifluoromethylphenylboronic acid,2-chloro-4-trifluoromethyl benzeneboronic acid,2-chloro-4-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl phenylboronicacid,2-chloro-4-trifluoromethylphenyl boronic acid,boronic acid, 2-chloro-4-trifluoromethyl phenyl,2-fluoro-4-iodophenylboronicacid PubChem CID: 2783251 IUPAC Name: [2-chloro-4-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(Cl)C=C(C=C1)C(F)(F)F

PubChem CID 2783251
CAS 254993-59-4
Molecular Weight (g/mol) 224.37
MDL Number MFCD02684337
SMILES OB(O)C1=C(Cl)C=C(C=C1)C(F)(F)F
Synonym 2-chloro-4-trifluoromethyl phenylboronic acid,2-chloro-4-trifluoromethylphenylboronic acid,2-chloro-4-trifluoromethyl benzeneboronic acid,2-chloro-4-trifluoromethyl phenyl boronic acid,2-chloro-4-trifluoromethyl phenylboronicacid,2-chloro-4-trifluoromethylphenyl boronic acid,boronic acid, 2-chloro-4-trifluoromethyl phenyl,2-fluoro-4-iodophenylboronicacid
IUPAC Name [2-chloro-4-(trifluoromethyl)phenyl]boronic acid
InChI Key JKSUCAFAUNSPLO-UHFFFAOYSA-N
Molecular Formula C7H5BClF3O2
1,039
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4-(Trifluoromethyl)phenylglyoxal hydrate, 98%, dry wt. basis

CAS: 1736-56-7 Molecular Formula: C9H5F3O2 Molecular Weight (g/mol): 202.132 MDL Number: MFCD05664098 InChI Key: BGOMXTCPIUNFKR-UHFFFAOYSA-N Synonym: 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione PubChem CID: 2783286 IUPAC Name: 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde SMILES: C1=CC(=CC=C1C(=O)C=O)C(F)(F)F

PubChem CID 2783286
CAS 1736-56-7
Molecular Weight (g/mol) 202.132
MDL Number MFCD05664098
SMILES C1=CC(=CC=C1C(=O)C=O)C(F)(F)F
Synonym 2-oxo-2-4-trifluoromethyl phenyl acetaldehyde,2-oxo-2-4-trifluoromethyl phenyl ethanal,2-oxidanylidene-2-4-trifluoromethyl phenyl ethanal,4-trifluoromethylphenyl oxo acetaldehyde,oxo 4-trifluoromethyl phenyl acetaldehyde,1-4-trifluoromethyl phenyl-1,2-ethanedione
IUPAC Name 2-oxo-2-[4-(trifluoromethyl)phenyl]acetaldehyde
InChI Key BGOMXTCPIUNFKR-UHFFFAOYSA-N
Molecular Formula C9H5F3O2
1,040
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4-Bromomethyl-2-fluorobenzeneboronic acid pinacol ester, 96%

CAS: 1029439-49-3 Molecular Formula: C13H17BBrFO2 Molecular Weight (g/mol): 314.989 MDL Number: MFCD18434471 InChI Key: QOCYLABQSVWXGE-UHFFFAOYSA-N Synonym: 2-4-bromomethyl-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl-2-fluorophenylboronic acid pinacol ester,4-bromomethyl-2-fluorobenzeneboronic acid pinacol ester,4-bromomethyl-2-fluorophenyl boronic acid pinacol ester PubChem CID: 53217331 IUPAC Name: 2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CBr)F

PubChem CID 53217331
CAS 1029439-49-3
Molecular Weight (g/mol) 314.989
MDL Number MFCD18434471
SMILES B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CBr)F
Synonym 2-4-bromomethyl-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl-2-fluorophenylboronic acid pinacol ester,4-bromomethyl-2-fluorobenzeneboronic acid pinacol ester,4-bromomethyl-2-fluorophenyl boronic acid pinacol ester
IUPAC Name 2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI Key QOCYLABQSVWXGE-UHFFFAOYSA-N
Molecular Formula C13H17BBrFO2
1,041
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Dibenzenesulfonamide, 95%

CAS: 2618-96-4 Molecular Formula: C12H11NO4S2 Molecular Weight (g/mol): 297.343 MDL Number: MFCD00025019 InChI Key: OVQABVAKPIYHIG-UHFFFAOYSA-N Synonym: dibenzenesulfonimide,benzenesulfonamide, n-phenylsulfonyl,dibenzenesulfonamide,bis phenylsulfonyl amine,n-phenylsulfonyl benzenesulfonamide,dibenzolsulfimid,dibenzolsulfimide,diphenylsulfonimide,benzenesulfonic acid imide,n-benzenesulfonyl benzenesulfonamide PubChem CID: 75671 IUPAC Name: N-(benzenesulfonyl)benzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2

PubChem CID 75671
CAS 2618-96-4
Molecular Weight (g/mol) 297.343
MDL Number MFCD00025019
SMILES C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2
Synonym dibenzenesulfonimide,benzenesulfonamide, n-phenylsulfonyl,dibenzenesulfonamide,bis phenylsulfonyl amine,n-phenylsulfonyl benzenesulfonamide,dibenzolsulfimid,dibenzolsulfimide,diphenylsulfonimide,benzenesulfonic acid imide,n-benzenesulfonyl benzenesulfonamide
IUPAC Name N-(benzenesulfonyl)benzenesulfonamide
InChI Key OVQABVAKPIYHIG-UHFFFAOYSA-N
Molecular Formula C12H11NO4S2
1,042
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3-Bromo-4-fluorobenzyl bromide, 97%

CAS: 78239-71-1 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.92 MDL Number: MFCD09037367 InChI Key: ZRWSODQPUJMFRV-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobenzyl bromide,2-bromo-4-bromomethyl-1-fluorobenzene,3-bromo-4-fluorobenzylbromide,benzene, 2-bromo-4-bromomethyl-1-fluoro,2-bromanyl-4-bromomethyl-1-fluoranyl-benzene,pubchem24015,acmc-209pdt,3-bromo-4-fluoro-benzyl bromide,2-bromo-4-bromomethyl-1-fluoro-benzene,benzene,2-bromo-4-bromomethyl-1-fluoro PubChem CID: 12922710 IUPAC Name: 2-bromo-4-(bromomethyl)-1-fluorobenzene SMILES: FC1=C(Br)C=C(CBr)C=C1

PubChem CID 12922710
CAS 78239-71-1
Molecular Weight (g/mol) 267.92
MDL Number MFCD09037367
SMILES FC1=C(Br)C=C(CBr)C=C1
Synonym 3-bromo-4-fluorobenzyl bromide,2-bromo-4-bromomethyl-1-fluorobenzene,3-bromo-4-fluorobenzylbromide,benzene, 2-bromo-4-bromomethyl-1-fluoro,2-bromanyl-4-bromomethyl-1-fluoranyl-benzene,pubchem24015,acmc-209pdt,3-bromo-4-fluoro-benzyl bromide,2-bromo-4-bromomethyl-1-fluoro-benzene,benzene,2-bromo-4-bromomethyl-1-fluoro
IUPAC Name 2-bromo-4-(bromomethyl)-1-fluorobenzene
InChI Key ZRWSODQPUJMFRV-UHFFFAOYSA-N
Molecular Formula C7H5Br2F
1,043
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2,6-Dimethylbenzyl alcohol, 98%

CAS: 62285-58-9 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00128004 InChI Key: JPEYJQDKTDVJSZ-UHFFFAOYSA-N Synonym: 2,6-dimethylphenyl methanol,2,6-dimethylbenzyl alcohol,2,6-dimethyl-benzenemethanol,2,6-dimethylbenzylalcohol,benzenemethanol, 2,6-dimethyl,2,6-dimethyl-phenyl-methanol,2.3-dimethylbenzylalkohol,2,6-dimethylbenzenemethanol,2,6-dimethyl benzyl alcohol,benzenemethanol,2,6-dimethyl PubChem CID: 186748 IUPAC Name: (2,6-dimethylphenyl)methanol SMILES: CC1=C(C(=CC=C1)C)CO

PubChem CID 186748
CAS 62285-58-9
Molecular Weight (g/mol) 136.194
MDL Number MFCD00128004
SMILES CC1=C(C(=CC=C1)C)CO
Synonym 2,6-dimethylphenyl methanol,2,6-dimethylbenzyl alcohol,2,6-dimethyl-benzenemethanol,2,6-dimethylbenzylalcohol,benzenemethanol, 2,6-dimethyl,2,6-dimethyl-phenyl-methanol,2.3-dimethylbenzylalkohol,2,6-dimethylbenzenemethanol,2,6-dimethyl benzyl alcohol,benzenemethanol,2,6-dimethyl
IUPAC Name (2,6-dimethylphenyl)methanol
InChI Key JPEYJQDKTDVJSZ-UHFFFAOYSA-N
Molecular Formula C9H12O
1,044
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2-Cyano-4-(trifluoromethyl)benzeneboronic acid, 95%

CAS: 1218790-84-1 Molecular Formula: C8H5BF3NO2 Molecular Weight (g/mol): 214.938 InChI Key: DELAZGQTKSRLPA-UHFFFAOYSA-N Synonym: 2-cyano-4-trifluoromethyl phenylboronic acid,2-cyano-4-trifluoromethyl phenyl boronic acid,acmc-209ail,2-cyano-4-trifluoromethyl phenyl boronicacid PubChem CID: 53216599 IUPAC Name: [2-cyano-4-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=C(C=C1)C(F)(F)F)C#N)(O)O

PubChem CID 53216599
CAS 1218790-84-1
Molecular Weight (g/mol) 214.938
SMILES B(C1=C(C=C(C=C1)C(F)(F)F)C#N)(O)O
Synonym 2-cyano-4-trifluoromethyl phenylboronic acid,2-cyano-4-trifluoromethyl phenyl boronic acid,acmc-209ail,2-cyano-4-trifluoromethyl phenyl boronicacid
IUPAC Name [2-cyano-4-(trifluoromethyl)phenyl]boronic acid
InChI Key DELAZGQTKSRLPA-UHFFFAOYSA-N
Molecular Formula C8H5BF3NO2
1,045
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5-Bromo-2-fluorophenol, 98%

CAS: 112204-58-7 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 190.999 MDL Number: MFCD07782066 InChI Key: YPTHSYKJDRMAJY-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromophenol,phenol, 5-bromo-2-fluoro,2-fluoro-5-bromo phenol,5-bromo-2-fluoro-phenol,3-bromo-6-fluorophenol,3-bromo-6-fluoro-phenol,acmc-2099dd,ksc493i2d PubChem CID: 183421 IUPAC Name: 5-bromo-2-fluorophenol SMILES: C1=CC(=C(C=C1Br)O)F

PubChem CID 183421
CAS 112204-58-7
Molecular Weight (g/mol) 190.999
MDL Number MFCD07782066
SMILES C1=CC(=C(C=C1Br)O)F
Synonym 2-fluoro-5-bromophenol,phenol, 5-bromo-2-fluoro,2-fluoro-5-bromo phenol,5-bromo-2-fluoro-phenol,3-bromo-6-fluorophenol,3-bromo-6-fluoro-phenol,acmc-2099dd,ksc493i2d
IUPAC Name 5-bromo-2-fluorophenol
InChI Key YPTHSYKJDRMAJY-UHFFFAOYSA-N
Molecular Formula C6H4BrFO
1,046
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4-Fluoro-3-nitroanisole, 95%

CAS: 61324-93-4 Molecular Formula: C7H6FNO3 Molecular Weight (g/mol): 171.127 MDL Number: MFCD11848442 InChI Key: ZRIKJXDEJYMBEJ-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitroanisole,benzene, 1-fluoro-4-methoxy-2-nitro,3-fluoro-4-nitrobenzene,-1-methoxy,ksc613a5f,2-fluoro-5-methoxynitrobenzene,2-fluoro-5-methoxy-nitrobenzene,# PubChem CID: 565653 IUPAC Name: 1-fluoro-4-methoxy-2-nitrobenzene SMILES: COC1=CC(=C(C=C1)F)[N+](=O)[O-]

PubChem CID 565653
CAS 61324-93-4
Molecular Weight (g/mol) 171.127
MDL Number MFCD11848442
SMILES COC1=CC(=C(C=C1)F)[N+](=O)[O-]
Synonym 4-fluoro-3-nitroanisole,benzene, 1-fluoro-4-methoxy-2-nitro,3-fluoro-4-nitrobenzene,-1-methoxy,ksc613a5f,2-fluoro-5-methoxynitrobenzene,2-fluoro-5-methoxy-nitrobenzene,#
IUPAC Name 1-fluoro-4-methoxy-2-nitrobenzene
InChI Key ZRIKJXDEJYMBEJ-UHFFFAOYSA-N
Molecular Formula C7H6FNO3
1,047
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3-Fluoro-2-nitrophenol, 97%

CAS: 385-01-3 Molecular Formula: C6H4FNO3 Molecular Weight (g/mol): 157.1 MDL Number: MFCD07368753 InChI Key: GAWNBKUTBVLIPL-UHFFFAOYSA-N Synonym: 3-fluoro-2-nitro-phenol,2-nitro-3-fluorophenol,phenol, 3-fluoro-2-nitro,3-fluoronitro-phenol,pubchem4124,acmc-209j0i,ksc497m1h PubChem CID: 2782777 IUPAC Name: 3-fluoro-2-nitrophenol SMILES: C1=CC(=C(C(=C1)F)[N+](=O)[O-])O

PubChem CID 2782777
CAS 385-01-3
Molecular Weight (g/mol) 157.1
MDL Number MFCD07368753
SMILES C1=CC(=C(C(=C1)F)[N+](=O)[O-])O
Synonym 3-fluoro-2-nitro-phenol,2-nitro-3-fluorophenol,phenol, 3-fluoro-2-nitro,3-fluoronitro-phenol,pubchem4124,acmc-209j0i,ksc497m1h
IUPAC Name 3-fluoro-2-nitrophenol
InChI Key GAWNBKUTBVLIPL-UHFFFAOYSA-N
Molecular Formula C6H4FNO3
1,048
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3-Bromo-4-fluorophenol, 98%, Thermo Scientific Chemicals

CAS: 27407-11-0 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 190.999 MDL Number: MFCD03425884 InChI Key: QWTULQLVGNZMLF-UHFFFAOYSA-N Synonym: 3-bromo-4-fluoro-phenol,phenol, 3-bromo-4-fluoro,pubchem1486,acmc-1cmha,ksc201s9b,3-bromanyl-4-fluoranyl-phenol PubChem CID: 2783381 IUPAC Name: 3-bromo-4-fluorophenol SMILES: C1=CC(=C(C=C1O)Br)F

PubChem CID 2783381
CAS 27407-11-0
Molecular Weight (g/mol) 190.999
MDL Number MFCD03425884
SMILES C1=CC(=C(C=C1O)Br)F
Synonym 3-bromo-4-fluoro-phenol,phenol, 3-bromo-4-fluoro,pubchem1486,acmc-1cmha,ksc201s9b,3-bromanyl-4-fluoranyl-phenol
IUPAC Name 3-bromo-4-fluorophenol
InChI Key QWTULQLVGNZMLF-UHFFFAOYSA-N
Molecular Formula C6H4BrFO
1,049
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4-(Methoxymethyl)benzeneboronic acid, 97%

CAS: 279262-11-2 Molecular Formula: C8H11BO3 Molecular Weight (g/mol): 165.983 MDL Number: MFCD03788426 InChI Key: VTNVZXAYRMTKON-UHFFFAOYSA-N Synonym: 4-methoxymethyl phenylboronic acid,4-methoxymethyl phenyl boronic acid,4-methoxymethylbenzeneboronic acid,4-methoxymethylphenylboronic acid,4-methoxymethyl benzeneboronic acid,acmc-1cr68,4-methoxymethyl-phenylboronic acid,4-methoxymethylphenyl boronic acid,4-methoxymethyl-benzene boronic acid PubChem CID: 3723812 IUPAC Name: [4-(methoxymethyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)COC)(O)O

PubChem CID 3723812
CAS 279262-11-2
Molecular Weight (g/mol) 165.983
MDL Number MFCD03788426
SMILES B(C1=CC=C(C=C1)COC)(O)O
Synonym 4-methoxymethyl phenylboronic acid,4-methoxymethyl phenyl boronic acid,4-methoxymethylbenzeneboronic acid,4-methoxymethylphenylboronic acid,4-methoxymethyl benzeneboronic acid,acmc-1cr68,4-methoxymethyl-phenylboronic acid,4-methoxymethylphenyl boronic acid,4-methoxymethyl-benzene boronic acid
IUPAC Name [4-(methoxymethyl)phenyl]boronic acid
InChI Key VTNVZXAYRMTKON-UHFFFAOYSA-N
Molecular Formula C8H11BO3
1,050
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2-Bromo-4-(trifluoromethyl)phenol, 98%

CAS: 81107-97-3 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD06657954 InChI Key: DTEDKIRYMYDIGO-UHFFFAOYSA-N PubChem CID: 2761168 IUPAC Name: 2-bromo-4-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)O

PubChem CID 2761168
CAS 81107-97-3
Molecular Weight (g/mol) 241.007
MDL Number MFCD06657954
SMILES C1=CC(=C(C=C1C(F)(F)F)Br)O
IUPAC Name 2-bromo-4-(trifluoromethyl)phenol
InChI Key DTEDKIRYMYDIGO-UHFFFAOYSA-N
Molecular Formula C7H4BrF3O