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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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2,191 – 2,205 of 64,662 results
2,191
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3,5-Dichlorobenzyl alcohol, 98%

CAS: 60211-57-6 Molecular Formula: C7H6Cl2O Molecular Weight (g/mol): 177.024 MDL Number: MFCD00004634 InChI Key: VSNNLLQKDRCKCB-UHFFFAOYSA-N PubChem CID: 43236 IUPAC Name: (3,5-dichlorophenyl)methanol SMILES: C1=C(C=C(C=C1Cl)Cl)CO

PubChem CID 43236
CAS 60211-57-6
Molecular Weight (g/mol) 177.024
MDL Number MFCD00004634
SMILES C1=C(C=C(C=C1Cl)Cl)CO
IUPAC Name (3,5-dichlorophenyl)methanol
InChI Key VSNNLLQKDRCKCB-UHFFFAOYSA-N
Molecular Formula C7H6Cl2O
2,192
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3-Fluorophenylacetonitrile, 99%

CAS: 501-00-8 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 MDL Number: MFCD00001907 InChI Key: DEJPYROXSVVWIE-UHFFFAOYSA-N Synonym: 3-fluorophenylacetonitrile,3-fluorobenzyl cyanide,2-3-fluorophenyl acetonitrile,m-fluorophenylacetonitrile,benzeneacetonitrile, 3-fluoro,3-fluorobenzeneacetonitrile,m-fluorobenzyl cyanide,acetonitrile, m-fluorophenyl,3-fluorophenyl acetonitrile,2-3-fluorophenyl ethanenitrile PubChem CID: 68145 IUPAC Name: 2-(3-fluorophenyl)acetonitrile SMILES: C1=CC(=CC(=C1)F)CC#N

PubChem CID 68145
CAS 501-00-8
Molecular Weight (g/mol) 135.141
MDL Number MFCD00001907
SMILES C1=CC(=CC(=C1)F)CC#N
Synonym 3-fluorophenylacetonitrile,3-fluorobenzyl cyanide,2-3-fluorophenyl acetonitrile,m-fluorophenylacetonitrile,benzeneacetonitrile, 3-fluoro,3-fluorobenzeneacetonitrile,m-fluorobenzyl cyanide,acetonitrile, m-fluorophenyl,3-fluorophenyl acetonitrile,2-3-fluorophenyl ethanenitrile
IUPAC Name 2-(3-fluorophenyl)acetonitrile
InChI Key DEJPYROXSVVWIE-UHFFFAOYSA-N
Molecular Formula C8H6FN
2,193
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alpha-2-Chloroisodurene, 98%

CAS: 1585-16-6 Molecular Formula: C10H13Cl Molecular Weight (g/mol): 168.66 MDL Number: MFCD00000901 InChI Key: UNRGEIXQCZHICP-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzyl chloride,2-chloromethyl-1,3,5-trimethylbenzene,alpha-2-chloroisodurene,benzene, 2-chloromethyl-1,3,5-trimethyl,2,4,6-trimethyl benzyl chloride,alpha2-chloroisodurene,chloromethyl mesitylene,2-chloromethyl-1,3,5-trimethyl-benzene,az-chloroisodurene,a-2-chloroisodurene PubChem CID: 74108 IUPAC Name: 2-(chloromethyl)-1,3,5-trimethylbenzene SMILES: CC1=CC(C)=C(CCl)C(C)=C1

PubChem CID 74108
CAS 1585-16-6
Molecular Weight (g/mol) 168.66
MDL Number MFCD00000901
SMILES CC1=CC(C)=C(CCl)C(C)=C1
Synonym 2,4,6-trimethylbenzyl chloride,2-chloromethyl-1,3,5-trimethylbenzene,alpha-2-chloroisodurene,benzene, 2-chloromethyl-1,3,5-trimethyl,2,4,6-trimethyl benzyl chloride,alpha2-chloroisodurene,chloromethyl mesitylene,2-chloromethyl-1,3,5-trimethyl-benzene,az-chloroisodurene,a-2-chloroisodurene
IUPAC Name 2-(chloromethyl)-1,3,5-trimethylbenzene
InChI Key UNRGEIXQCZHICP-UHFFFAOYSA-N
Molecular Formula C10H13Cl
2,194
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3,5-Dibromobenzyl bromide, 99%, Thermo Scientific™

CAS: 56908-88-4 Molecular Formula: C7H5Br3 Molecular Weight (g/mol): 328.83 MDL Number: MFCD00052415 InChI Key: PWTFRUXTAFBWBW-UHFFFAOYSA-N Synonym: 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene PubChem CID: 143427 IUPAC Name: 1,3-dibromo-5-(bromomethyl)benzene SMILES: BrCC1=CC(Br)=CC(Br)=C1

PubChem CID 143427
CAS 56908-88-4
Molecular Weight (g/mol) 328.83
MDL Number MFCD00052415
SMILES BrCC1=CC(Br)=CC(Br)=C1
Synonym 3,5-dibromobenzyl bromide,1,3-dibromo-5-bromomethyl benzene,benzene, 1,3-dibromo-5-bromomethyl,alpha,3,5-tribromotoluene,acmc-20andg,3,5-dibromobenzylbromide,3,5-dibromo benzyl bromide,1,3-bis bromanyl-5-bromomethyl benzene
IUPAC Name 1,3-dibromo-5-(bromomethyl)benzene
InChI Key PWTFRUXTAFBWBW-UHFFFAOYSA-N
Molecular Formula C7H5Br3
2,195

[4-(1H-1,2,4-Triazol-1-ylmethyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 160388-56-7 Molecular Formula: C10H11N3O Molecular Weight (g/mol): 189.218 MDL Number: MFCD07772869 InChI Key: XEOWXPICRQBFIT-UHFFFAOYSA-N Synonym: 4-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,4-1,2,4-triazol-1-ylmethyl phenyl methanol,4-1h-1,2,4-triazol-1-ylmethyl benzyl alcohol,4-1,2,4-triazolylmethyl phenyl methan-1-ol,4-1h-1,2,4-triazol-1-yl methyl phenyl methanol PubChem CID: 7162035 IUPAC Name: [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CN2C=NC=N2)CO

PubChem CID 7162035
CAS 160388-56-7
Molecular Weight (g/mol) 189.218
MDL Number MFCD07772869
SMILES C1=CC(=CC=C1CN2C=NC=N2)CO
Synonym 4-1h-1,2,4-triazol-1-ylmethyl phenyl methanol,4-1,2,4-triazol-1-ylmethyl phenyl methanol,4-1h-1,2,4-triazol-1-ylmethyl benzyl alcohol,4-1,2,4-triazolylmethyl phenyl methan-1-ol,4-1h-1,2,4-triazol-1-yl methyl phenyl methanol
IUPAC Name [4-(1,2,4-triazol-1-ylmethyl)phenyl]methanol
InChI Key XEOWXPICRQBFIT-UHFFFAOYSA-N
Molecular Formula C10H11N3O
2,196

Benzyl Alcohol, Multi-Compendial, N.F., J.T. Baker™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

PubChem CID 244
CAS 100-51-6
Molecular Weight (g/mol) 108.14
ChEBI CHEBI:17987
MDL Number MFCD00004599,MFCD03792087
SMILES OCC1=CC=CC=C1
Synonym benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name phenylmethanol
InChI Key WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula C7H8O
2,197

5-[2-(Bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole, 97%, Thermo Scientific™

CAS: 892501-91-6 Molecular Formula: C10H9BrN2O Molecular Weight (g/mol): 253.10 MDL Number: MFCD09064955 InChI Key: GTXIOLDSSMKRDR-UHFFFAOYSA-N Synonym: 5-2-bromomethyl phenyl-3-methyl-1,2,4-oxadiazole,5-2-bromomethyl phenyl-3-methyl-1,2,4-oxadiazol,1,2,4-oxadiazole, 5-2-bromomethyl phenyl-3-methyl,2-3-methyl-1,2,4-oxadiazol-5-yl benzyl bromide,pubchem23328,1,2,4-oxadiazole,5-2-bromomethyl phenyl-3-methyl PubChem CID: 24229503 IUPAC Name: 5-[2-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole SMILES: CC1=NOC(=N1)C1=CC=CC=C1CBr

PubChem CID 24229503
CAS 892501-91-6
Molecular Weight (g/mol) 253.10
MDL Number MFCD09064955
SMILES CC1=NOC(=N1)C1=CC=CC=C1CBr
Synonym 5-2-bromomethyl phenyl-3-methyl-1,2,4-oxadiazole,5-2-bromomethyl phenyl-3-methyl-1,2,4-oxadiazol,1,2,4-oxadiazole, 5-2-bromomethyl phenyl-3-methyl,2-3-methyl-1,2,4-oxadiazol-5-yl benzyl bromide,pubchem23328,1,2,4-oxadiazole,5-2-bromomethyl phenyl-3-methyl
IUPAC Name 5-[2-(bromomethyl)phenyl]-3-methyl-1,2,4-oxadiazole
InChI Key GTXIOLDSSMKRDR-UHFFFAOYSA-N
Molecular Formula C10H9BrN2O
2,198
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2-Chloro-4-fluorobenzyl bromide, 97%

CAS: 45767-66-6 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.469 MDL Number: MFCD00236025 InChI Key: GAUUDQVOPUKGJD-UHFFFAOYSA-N Synonym: 2-chloro-4-fluorobenzyl bromide,1-bromomethyl-2-chloro-4-fluorobenzene,2-chloro-4-fluorobenzylbromide,alpha-bromo-2-chloro-4-fluorotoluene,benzene, 1-bromomethyl-2-chloro-4-fluoro,2-choro-4-fluorobenzylbromide,pubchem4893,1-bromomethyl-2-chloro-4-fluoro-benzene,ksc493m8r,2-chloro-4-flurobenzyl bromide PubChem CID: 2725062 IUPAC Name: 1-(bromomethyl)-2-chloro-4-fluorobenzene SMILES: C1=CC(=C(C=C1F)Cl)CBr

PubChem CID 2725062
CAS 45767-66-6
Molecular Weight (g/mol) 223.469
MDL Number MFCD00236025
SMILES C1=CC(=C(C=C1F)Cl)CBr
Synonym 2-chloro-4-fluorobenzyl bromide,1-bromomethyl-2-chloro-4-fluorobenzene,2-chloro-4-fluorobenzylbromide,alpha-bromo-2-chloro-4-fluorotoluene,benzene, 1-bromomethyl-2-chloro-4-fluoro,2-choro-4-fluorobenzylbromide,pubchem4893,1-bromomethyl-2-chloro-4-fluoro-benzene,ksc493m8r,2-chloro-4-flurobenzyl bromide
IUPAC Name 1-(bromomethyl)-2-chloro-4-fluorobenzene
InChI Key GAUUDQVOPUKGJD-UHFFFAOYSA-N
Molecular Formula C7H5BrClF
2,199
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Doxylamine Succinate, USP, 98-101%, Spectrum™ Chemical
SDP

CAS: 562-10-7 Molecular Formula: C21H28N2O5 Molecular Weight (g/mol): 388.46 MDL Number: MFCD00056168 InChI Key: KBAUFVUYFNWQFM-UHFFFAOYNA-N IUPAC Name: butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine SMILES: OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1

CAS 562-10-7
Molecular Weight (g/mol) 388.46
MDL Number MFCD00056168
SMILES OC(=O)CCC(O)=O.CN(C)CCOC(C)(C1=CC=CC=C1)C1=CC=CC=N1
IUPAC Name butanedioic acid; dimethyl({2-[1-phenyl-1-(pyridin-2-yl)ethoxy]ethyl})amine
InChI Key KBAUFVUYFNWQFM-UHFFFAOYNA-N
Molecular Formula C21H28N2O5
2,200
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3-(Dimethylamino)benzyl alcohol, 95%

CAS: 23501-93-1 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00017342 InChI Key: YTUXZVSDDHCTBZ-UHFFFAOYSA-N Synonym: 3-dimethylamino phenyl methanol,3-dimethylamino benzyl alcohol,3-dimethylaminobenzyl alcohol,m-dimethylamino benzyl alcohol,benzenemethanol,3-dimethylamino,3-dimethylamino phenyl methan-1-ol,benzyl alcohol, m-dimethylamino,benzenemethanol, 3-dimethylamino PubChem CID: 90133 IUPAC Name: [3-(dimethylamino)phenyl]methanol SMILES: CN(C)C1=CC=CC(=C1)CO

PubChem CID 90133
CAS 23501-93-1
Molecular Weight (g/mol) 151.21
MDL Number MFCD00017342
SMILES CN(C)C1=CC=CC(=C1)CO
Synonym 3-dimethylamino phenyl methanol,3-dimethylamino benzyl alcohol,3-dimethylaminobenzyl alcohol,m-dimethylamino benzyl alcohol,benzenemethanol,3-dimethylamino,3-dimethylamino phenyl methan-1-ol,benzyl alcohol, m-dimethylamino,benzenemethanol, 3-dimethylamino
IUPAC Name [3-(dimethylamino)phenyl]methanol
InChI Key YTUXZVSDDHCTBZ-UHFFFAOYSA-N
Molecular Formula C9H13NO
2,201
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4-(Chloromethyl)benzonitrile, 98+%

CAS: 874-86-2 Molecular Formula: C8H6ClN Molecular Weight (g/mol): 151.593 MDL Number: MFCD00019761 InChI Key: LOQLDQJTSMKBJU-UHFFFAOYSA-N Synonym: 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile PubChem CID: 70127 IUPAC Name: 4-(chloromethyl)benzonitrile SMILES: C1=CC(=CC=C1CCl)C#N

PubChem CID 70127
CAS 874-86-2
Molecular Weight (g/mol) 151.593
MDL Number MFCD00019761
SMILES C1=CC(=CC=C1CCl)C#N
Synonym 4-chloromethyl benzonitrile,4-cyanobenzyl chloride,4-chloromethyl-benzonitrile,benzonitrile, 4-chloromethyl,ccris 5103,p-cyanobenzyl chloride,4-chloromethyl benzenecarbonitrile,4-cyanobenzylchloride,pubchem7377,alp.-chloro-p-tolunitrile
IUPAC Name 4-(chloromethyl)benzonitrile
InChI Key LOQLDQJTSMKBJU-UHFFFAOYSA-N
Molecular Formula C8H6ClN
2,202

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

CAS: 106276-04-4 Molecular Formula: C13H19NO3 Molecular Weight (g/mol): 237.299 MDL Number: MFCD07772843 InChI Key: MJDMCSJTOOAYPS-UHFFFAOYSA-N Synonym: 2-2-morpholinoethoxy phenyl methanol,2-2-morpholin-4-yl ethoxy phenyl methanol,2-2-morpholin-4-ylethoxy phenyl methanol,2-2-morpholin-4-yl-ethoxy-phenyl-methanol,2-2-morpholin-4-ylethoxy phenyl methan-1-ol PubChem CID: 7164615 IUPAC Name: [2-(2-morpholin-4-ylethoxy)phenyl]methanol SMILES: C1COCCN1CCOC2=CC=CC=C2CO

PubChem CID 7164615
CAS 106276-04-4
Molecular Weight (g/mol) 237.299
MDL Number MFCD07772843
SMILES C1COCCN1CCOC2=CC=CC=C2CO
Synonym 2-2-morpholinoethoxy phenyl methanol,2-2-morpholin-4-yl ethoxy phenyl methanol,2-2-morpholin-4-ylethoxy phenyl methanol,2-2-morpholin-4-yl-ethoxy-phenyl-methanol,2-2-morpholin-4-ylethoxy phenyl methan-1-ol
IUPAC Name [2-(2-morpholin-4-ylethoxy)phenyl]methanol
InChI Key MJDMCSJTOOAYPS-UHFFFAOYSA-N
Molecular Formula C13H19NO3
2,203
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(R)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetyl chloride, 98+%

CAS: 39637-99-5 Molecular Formula: C10H8ClF3O2 Molecular Weight (g/mol): 252.62 MDL Number: MFCD00044400 InChI Key: PAORVUMOXXAMPL-VIFPVBQESA-N Synonym: unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride PubChem CID: 3080792 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride SMILES: CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 3080792
CAS 39637-99-5
Molecular Weight (g/mol) 252.62
MDL Number MFCD00044400
SMILES CO[C@](C(Cl)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym unii-81ut10uhv3,r---mtpa-cl,--alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethyl phenylacetyl chloride,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride,r---a-methoxy-a-trifluoromethylphenylacetyl chloride,r---alpha-methoxy-alpha-trifluoromethylphenylacetyl chloride,--mtpa-cl,--mosher's acid chloride
IUPAC Name (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl chloride
InChI Key PAORVUMOXXAMPL-VIFPVBQESA-N
Molecular Formula C10H8ClF3O2
2,204
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(S)-(-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 17257-71-5 Molecular Formula: C10H8F3O3 Molecular Weight (g/mol): 233.17 MDL Number: MFCD00064200 InChI Key: JJYKJUXBWFATTE-VIFPVBQESA-M Synonym: s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid PubChem CID: 6992788 IUPAC Name: (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F

PubChem CID 6992788
CAS 17257-71-5
Molecular Weight (g/mol) 233.17
MDL Number MFCD00064200
SMILES CO[C@](C([O-])=O)(C1=CC=CC=C1)C(F)(F)F
Synonym s---alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--mosher's acid,--mtpa,unii-172hcj1iqv,172hcj1iqv,2s-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,--alpha-methoxy-alpha-trifluoromethyl phenylacetic acid,s---mtpa,--a-methoxy-a-trifluoromethylphenylacetic acid
IUPAC Name (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
InChI Key JJYKJUXBWFATTE-VIFPVBQESA-M
Molecular Formula C10H8F3O3
2,205
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2-Fluorobenzyl chloride, 98+%

CAS: 345-35-7 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.57 MDL Number: MFCD00000892 InChI Key: MOBRMRJUKNQBMY-UHFFFAOYSA-N Synonym: 2-fluorobenzyl chloride,1-chloromethyl-2-fluorobenzene,o-fluorobenzyl chloride,alpha-chloro-o-fluorotoluene,benzene, 1-chloromethyl-2-fluoro,alpha-chloro-2-fluorotoluene,2-fluorobenzylchloride,1-chloromethyl-2-fluoro-benzene,toluene, alpha-chloro-o-fluoro,o-fluorobenzylchloride PubChem CID: 9580 IUPAC Name: 1-(chloromethyl)-2-fluorobenzene SMILES: FC1=CC=CC=C1CCl

PubChem CID 9580
CAS 345-35-7
Molecular Weight (g/mol) 144.57
MDL Number MFCD00000892
SMILES FC1=CC=CC=C1CCl
Synonym 2-fluorobenzyl chloride,1-chloromethyl-2-fluorobenzene,o-fluorobenzyl chloride,alpha-chloro-o-fluorotoluene,benzene, 1-chloromethyl-2-fluoro,alpha-chloro-2-fluorotoluene,2-fluorobenzylchloride,1-chloromethyl-2-fluoro-benzene,toluene, alpha-chloro-o-fluoro,o-fluorobenzylchloride
IUPAC Name 1-(chloromethyl)-2-fluorobenzene
InChI Key MOBRMRJUKNQBMY-UHFFFAOYSA-N
Molecular Formula C7H6ClF