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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.
Hydroxybenzoic Acid Derivatives (20,669)
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4,381 – 4,395 of 69,574 results
4,381
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(S)-(+)-alpha-Methoxyphenylacetic acid, 99%

CAS: 26164-26-1 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00064216 InChI Key: DIWVBIXQCNRCFE-QMMMGPOBSA-N Synonym: s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s PubChem CID: 643325 IUPAC Name: (2S)-2-methoxy-2-phenylacetic acid SMILES: COC(C1=CC=CC=C1)C(=O)O

PubChem CID 643325
CAS 26164-26-1
Molecular Weight (g/mol) 166.176
MDL Number MFCD00064216
SMILES COC(C1=CC=CC=C1)C(=O)O
Synonym s-+-alpha-methoxyphenylacetic acid,s-2-methoxy-2-phenylacetic acid,s-methoxyphenylacetic acid,s-alpha-methoxyphenylacetic acid,s-+-methoxyphenylacetic acid,2s-2-methoxy-2-phenylacetic acid,s-methoxy phenyl acetic acid,s---alpha-methoxyphenylacetic acid,methoxy phenyl acetic acid #,benzeneacetic acid, .alpha.-methoxy-, s
IUPAC Name (2S)-2-methoxy-2-phenylacetic acid
InChI Key DIWVBIXQCNRCFE-QMMMGPOBSA-N
Molecular Formula C9H10O3
4,382
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Benzyloxyacetaldehyde diethyl acetal, 98%

CAS: 42783-78-8 Molecular Formula: C13H20O3 Molecular Weight (g/mol): 224.3 MDL Number: MFCD00051786 InChI Key: VTYTZCJKJNWMGA-UHFFFAOYSA-N Synonym: 2,2-diethoxyethoxy methyl benzene,benzyloxyacetaldehyde diethyl acetal,benzene, 2,2-diethoxyethoxy methyl,acmc-20alp5,1,1-diethoxy-2-benzyloxy ethane,2,2-diethoxy-ethoxymethyl-benzene,2,2-diethoxy-1-phenylmethoxy ethane,2-benzyloxy acetaldehyde diethyl acetal PubChem CID: 4321487 IUPAC Name: 2,2-diethoxyethoxymethylbenzene SMILES: CCOC(COCC1=CC=CC=C1)OCC

PubChem CID 4321487
CAS 42783-78-8
Molecular Weight (g/mol) 224.3
MDL Number MFCD00051786
SMILES CCOC(COCC1=CC=CC=C1)OCC
Synonym 2,2-diethoxyethoxy methyl benzene,benzyloxyacetaldehyde diethyl acetal,benzene, 2,2-diethoxyethoxy methyl,acmc-20alp5,1,1-diethoxy-2-benzyloxy ethane,2,2-diethoxy-ethoxymethyl-benzene,2,2-diethoxy-1-phenylmethoxy ethane,2-benzyloxy acetaldehyde diethyl acetal
IUPAC Name 2,2-diethoxyethoxymethylbenzene
InChI Key VTYTZCJKJNWMGA-UHFFFAOYSA-N
Molecular Formula C13H20O3
4,383
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4-Fluorobenzyl chloride, 99%

CAS: 352-11-4 Molecular Formula: C7H6ClF Molecular Weight (g/mol): 144.573 MDL Number: MFCD00000913 InChI Key: IZXWCDITFDNEBY-UHFFFAOYSA-N Synonym: 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene PubChem CID: 9602 IUPAC Name: 1-(chloromethyl)-4-fluorobenzene SMILES: C1=CC(=CC=C1CCl)F

PubChem CID 9602
CAS 352-11-4
Molecular Weight (g/mol) 144.573
MDL Number MFCD00000913
SMILES C1=CC(=CC=C1CCl)F
Synonym 4-fluorobenzyl chloride,1-chloromethyl-4-fluorobenzene,alpha-chloro-p-fluorotoluene,p-fluorobenzyl chloride,4-fluorobenzylchloride,benzene, 1-chloromethyl-4-fluoro,1-chloromethyl-4-fluoro-benzene,alpha-chloro-4-fluorotoluene,ccris 5107,chloro-4-fluorotoluene
IUPAC Name 1-(chloromethyl)-4-fluorobenzene
InChI Key IZXWCDITFDNEBY-UHFFFAOYSA-N
Molecular Formula C7H6ClF
4,384
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3-(Bromomethyl)benzonitrile, 98%

CAS: 28188-41-2 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00001809 InChI Key: CVKOOKPNCVYHNY-UHFFFAOYSA-N Synonym: 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile PubChem CID: 97249 IUPAC Name: 3-(bromomethyl)benzonitrile SMILES: BrCC1=CC=CC(=C1)C#N

PubChem CID 97249
CAS 28188-41-2
Molecular Weight (g/mol) 196.05
MDL Number MFCD00001809
SMILES BrCC1=CC=CC(=C1)C#N
Synonym 3-bromomethyl benzonitrile,3-cyanobenzyl bromide,alpha-bromo-m-tolunitrile,m-cyanobenzyl bromide,benzonitrile, 3-bromomethyl,m-bromomethyl benzonitrile,alpha-bromo-m-toluonitrile,m-tolunitrile, .alpha.-bromo,a-bromo-m-tolunitrile,3-bromomethyl-benzonitrile
IUPAC Name 3-(bromomethyl)benzonitrile
InChI Key CVKOOKPNCVYHNY-UHFFFAOYSA-N
Molecular Formula C8H6BrN
4,385
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3,4,5-Trimethoxybenzyl alcohol, 98%

CAS: 3840-31-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00004639 InChI Key: QPHLRCUCFDXGLY-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n PubChem CID: 77449 IUPAC Name: (3,4,5-trimethoxyphenyl)methanol SMILES: COC1=CC(=CC(=C1OC)OC)CO

PubChem CID 77449
CAS 3840-31-1
Molecular Weight (g/mol) 198.218
MDL Number MFCD00004639
SMILES COC1=CC(=CC(=C1OC)OC)CO
Synonym 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n
IUPAC Name (3,4,5-trimethoxyphenyl)methanol
InChI Key QPHLRCUCFDXGLY-UHFFFAOYSA-N
Molecular Formula C10H14O4
4,386
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2-Fluoro-3-methylbenzyl bromide, 97%

CAS: 151412-12-3 Molecular Formula: C8H8BrF Molecular Weight (g/mol): 203.054 MDL Number: MFCD00042470 InChI Key: DCGWFNZSJBIAKE-UHFFFAOYSA-N Synonym: 2-fluoro-3-methylbenzyl bromide,1-bromomethyl-2-fluoro-3-methylbenzene,benzene,1-bromomethyl-2-fluoro-3-methyl,acmc-20anvi,2-fluoro-3-methylbenzylbromide,2-fluoro-3-methyl-benzylbromide,2-fluoro-3-methyl benzyl bromide,3-bromomethyl-2-fluoro-1-methylbenzene,1-bromomethyl-2-fluoro-3-methylbenzene # PubChem CID: 519062 IUPAC Name: 1-(bromomethyl)-2-fluoro-3-methylbenzene SMILES: CC1=C(C(=CC=C1)CBr)F

PubChem CID 519062
CAS 151412-12-3
Molecular Weight (g/mol) 203.054
MDL Number MFCD00042470
SMILES CC1=C(C(=CC=C1)CBr)F
Synonym 2-fluoro-3-methylbenzyl bromide,1-bromomethyl-2-fluoro-3-methylbenzene,benzene,1-bromomethyl-2-fluoro-3-methyl,acmc-20anvi,2-fluoro-3-methylbenzylbromide,2-fluoro-3-methyl-benzylbromide,2-fluoro-3-methyl benzyl bromide,3-bromomethyl-2-fluoro-1-methylbenzene,1-bromomethyl-2-fluoro-3-methylbenzene #
IUPAC Name 1-(bromomethyl)-2-fluoro-3-methylbenzene
InChI Key DCGWFNZSJBIAKE-UHFFFAOYSA-N
Molecular Formula C8H8BrF
4,387
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3,4-Dichlorobenzyl bromide, 98%

CAS: 18880-04-1 Molecular Formula: C7H5BrCl2 Molecular Weight (g/mol): 239.921 MDL Number: MFCD00041363 InChI Key: XLWSBDFQAJXCQX-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763 PubChem CID: 639726 IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene SMILES: C1=CC(=C(C=C1CBr)Cl)Cl

PubChem CID 639726
CAS 18880-04-1
Molecular Weight (g/mol) 239.921
MDL Number MFCD00041363
SMILES C1=CC(=C(C=C1CBr)Cl)Cl
Synonym 3,4-dichlorobenzyl bromide,4-bromomethyl-1,2-dichlorobenzene,benzene, 4-bromomethyl-1,2-dichloro,3,4-dichlorobenzylbromide,alpha-bromo-3,4-dichlorotoluene,acmc-209erq,3,4 dichlorobenzyl bromide,3,4-dichloro-benzyl bromide,ksc493a6b,timtec-bb sbb005763
IUPAC Name 4-(bromomethyl)-1,2-dichlorobenzene
InChI Key XLWSBDFQAJXCQX-UHFFFAOYSA-N
Molecular Formula C7H5BrCl2
4,388

3-[3-(Chloromethyl)phenoxy]-N,N-dimethylpropylamine hydrochloride, 95%, Thermo Scientific™

CAS: 926921-62-2 Molecular Formula: C12H19Cl2NO Molecular Weight (g/mol): 264.19 MDL Number: MFCD09702394 InChI Key: MCRYCZSEVCPYAW-UHFFFAOYSA-N Synonym: 3-3-chloromethyl phenoxy-n,n-dimethylpropylamine hydrochloride,3-3-dimethylamino propoxy benzyl chloride hydrochloride,3-3-chloromethyl phenoxy propyl dimethylamine hydrochloride,3-3-chloromethyl phenoxy propyl dimethylamine, chloride,3-3-chloromethyl phenoxy-n,n-dimethylpropan-1-amine hydrochloride,1-propanamine,3-3-chloromethyl phenoxy-n,n-dimethyl-,hydrochloride 1:1,3-3-chloromethyl phenoxy-n,n-dimethylpropan-1-amine-hydrogen chloride 1/1 PubChem CID: 24229607 SMILES: Cl.CN(C)CCCOC1=CC=CC(CCl)=C1

PubChem CID 24229607
CAS 926921-62-2
Molecular Weight (g/mol) 264.19
MDL Number MFCD09702394
SMILES Cl.CN(C)CCCOC1=CC=CC(CCl)=C1
Synonym 3-3-chloromethyl phenoxy-n,n-dimethylpropylamine hydrochloride,3-3-dimethylamino propoxy benzyl chloride hydrochloride,3-3-chloromethyl phenoxy propyl dimethylamine hydrochloride,3-3-chloromethyl phenoxy propyl dimethylamine, chloride,3-3-chloromethyl phenoxy-n,n-dimethylpropan-1-amine hydrochloride,1-propanamine,3-3-chloromethyl phenoxy-n,n-dimethyl-,hydrochloride 1:1,3-3-chloromethyl phenoxy-n,n-dimethylpropan-1-amine-hydrogen chloride 1/1
InChI Key MCRYCZSEVCPYAW-UHFFFAOYSA-N
Molecular Formula C12H19Cl2NO
4,389
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p-Toluenesulfonylmethyl isocyanide, 97%

CAS: 36635-61-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00000005 InChI Key: CFOAUYCPAUGDFF-UHFFFAOYSA-N Synonym: tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene PubChem CID: 161915 IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]

PubChem CID 161915
CAS 36635-61-7
Molecular Weight (g/mol) 195.24
MDL Number MFCD00000005
SMILES CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
Synonym tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene
IUPAC Name 1-(isocyanomethylsulfonyl)-4-methylbenzene
InChI Key CFOAUYCPAUGDFF-UHFFFAOYSA-N
Molecular Formula C9H9NO2S
4,390
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4-(Chloromethyl)-1,2-diphenylethane, 98%

CAS: 80676-35-3 Molecular Formula: C15H15Cl Molecular Weight (g/mol): 230.74 MDL Number: MFCD02093918 InChI Key: KPTSLALCCGBCOB-UHFFFAOYSA-N Synonym: 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride PubChem CID: 2733990 IUPAC Name: 1-(chloromethyl)-4-(2-phenylethyl)benzene SMILES: ClCC1=CC=C(CCC2=CC=CC=C2)C=C1

PubChem CID 2733990
CAS 80676-35-3
Molecular Weight (g/mol) 230.74
MDL Number MFCD02093918
SMILES ClCC1=CC=C(CCC2=CC=CC=C2)C=C1
Synonym 4-chloromethyl dibenzyl,1-chloromethyl-4-phenethylbenzene,4-chloromethyl-1,2-diphenylethane,1-chloromethyl-4-2-phenylethyl benzene,4-chloromethyl bibenzyl,4-phenethylbenzyl chloride
IUPAC Name 1-(chloromethyl)-4-(2-phenylethyl)benzene
InChI Key KPTSLALCCGBCOB-UHFFFAOYSA-N
Molecular Formula C15H15Cl
4,391
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3-Benzyloxypyrrolidine, 96%

CAS: 420137-14-0 Molecular Formula: C11H15NO Molecular Weight (g/mol): 177.247 MDL Number: MFCD08060975 InChI Key: CWBMYKUPMLRKQK-UHFFFAOYSA-N Synonym: 3-benzyloxy pyrrolidine,3-benzyloxypyrrolidine,3-benzyloxy-pyrrolidine,3-phenylmethoxy pyrrolidine,benzyl pyrrolidin-3-yl ether,pyrrolidin-3-yl oxy methyl benzene PubChem CID: 14497353 IUPAC Name: 3-phenylmethoxypyrrolidine SMILES: C1CNCC1OCC2=CC=CC=C2

PubChem CID 14497353
CAS 420137-14-0
Molecular Weight (g/mol) 177.247
MDL Number MFCD08060975
SMILES C1CNCC1OCC2=CC=CC=C2
Synonym 3-benzyloxy pyrrolidine,3-benzyloxypyrrolidine,3-benzyloxy-pyrrolidine,3-phenylmethoxy pyrrolidine,benzyl pyrrolidin-3-yl ether,pyrrolidin-3-yl oxy methyl benzene
IUPAC Name 3-phenylmethoxypyrrolidine
InChI Key CWBMYKUPMLRKQK-UHFFFAOYSA-N
Molecular Formula C11H15NO
4,392
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4-Fluorophenylacetonitrile, 99%

CAS: 459-22-3 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.14 MDL Number: MFCD00001917 InChI Key: JHQBLYITVCBGTO-UHFFFAOYSA-N Synonym: 4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl PubChem CID: 68016 IUPAC Name: 2-(4-fluorophenyl)acetonitrile SMILES: C1=CC(=CC=C1CC#N)F

PubChem CID 68016
CAS 459-22-3
Molecular Weight (g/mol) 135.14
MDL Number MFCD00001917
SMILES C1=CC(=CC=C1CC#N)F
Synonym 4-fluorophenylacetonitrile,4-fluorobenzyl cyanide,p-fluorobenzyl cyanide,benzeneacetonitrile, 4-fluoro,4-fluorobenzylcyanide,4-fluorobenzeneacetonitrile,p-fluorophenylacetonitrile,2-4-fluorophenyl acetonitrile,4-fluorobenzylnitrile,acetonitrile, p-fluorophenyl
IUPAC Name 2-(4-fluorophenyl)acetonitrile
InChI Key JHQBLYITVCBGTO-UHFFFAOYSA-N
Molecular Formula C8H6FN
4,393

p-Fluorobenzyl Bromide,MP Biomedicals

CAS: 459-46-1 Molecular Formula: C7H6BrF Molecular Weight (g/mol): 189.03 MDL Number: MFCD00000359 InChI Key: NVNPLEPBDPJYRZ-UHFFFAOYSA-N Synonym: 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide PubChem CID: 68021 IUPAC Name: 1-(bromomethyl)-4-fluorobenzene SMILES: FC1=CC=C(CBr)C=C1

PubChem CID 68021
CAS 459-46-1
Molecular Weight (g/mol) 189.03
MDL Number MFCD00000359
SMILES FC1=CC=C(CBr)C=C1
Synonym 4-fluorobenzyl bromide,1-bromomethyl-4-fluorobenzene,p-fluorobenzyl bromide,4-fluorobenzylbromide,benzene, 1-bromomethyl-4-fluoro,alpha-bromo-p-fluorotoluene,alpha-bromo-4-fluorotoluene,1-bromomethyl-4-fluoro-benzene,4-bromomethyl-1-fluorobenzene,para-fluorobenzyl bromide
IUPAC Name 1-(bromomethyl)-4-fluorobenzene
InChI Key NVNPLEPBDPJYRZ-UHFFFAOYSA-N
Molecular Formula C7H6BrF
4,394
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2-(Methoxymethyl)benzeneboronic acid, 97%

CAS: 126617-98-9 Molecular Formula: C8H11BO3 Molecular Weight (g/mol): 165.983 MDL Number: MFCD03412110 InChI Key: JHPPAFXQJZJGEP-UHFFFAOYSA-N Synonym: 2-methoxymethylphenylboronic acid,2-methoxymethylbenzeneboronic acid,2-methoxymethyl phenyl boronic acid,2-methoxymethyl phenylboronic acid,2-methoxymethyl benzeneboronic acid,2-methoxymethylphebylboronic acid,boronic acid, 2-methoxymethyl phenyl,pubchem7997 PubChem CID: 3759408 IUPAC Name: [2-(methoxymethyl)phenyl]boronic acid SMILES: B(C1=CC=CC=C1COC)(O)O

PubChem CID 3759408
CAS 126617-98-9
Molecular Weight (g/mol) 165.983
MDL Number MFCD03412110
SMILES B(C1=CC=CC=C1COC)(O)O
Synonym 2-methoxymethylphenylboronic acid,2-methoxymethylbenzeneboronic acid,2-methoxymethyl phenyl boronic acid,2-methoxymethyl phenylboronic acid,2-methoxymethyl benzeneboronic acid,2-methoxymethylphebylboronic acid,boronic acid, 2-methoxymethyl phenyl,pubchem7997
IUPAC Name [2-(methoxymethyl)phenyl]boronic acid
InChI Key JHPPAFXQJZJGEP-UHFFFAOYSA-N
Molecular Formula C8H11BO3
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2-Bromo-3-fluorobenzyl bromide, 98%

CAS: 1184918-22-6 Molecular Formula: C7H5Br2F Molecular Weight (g/mol): 267.92 MDL Number: MFCD12911576 InChI Key: ZJSRIMJDFLFPJI-UHFFFAOYSA-N Synonym: 2-bromo-1-bromomethyl-3-fluorobenzene,2-bromo-3-fluorobenzyl bromide,2-bromo-3-bromomethyl-1-fluorobenzene,2-bromo-3-fluorobenzylbromide PubChem CID: 44181799 IUPAC Name: 2-bromo-1-(bromomethyl)-3-fluorobenzene SMILES: FC1=CC=CC(CBr)=C1Br

PubChem CID 44181799
CAS 1184918-22-6
Molecular Weight (g/mol) 267.92
MDL Number MFCD12911576
SMILES FC1=CC=CC(CBr)=C1Br
Synonym 2-bromo-1-bromomethyl-3-fluorobenzene,2-bromo-3-fluorobenzyl bromide,2-bromo-3-bromomethyl-1-fluorobenzene,2-bromo-3-fluorobenzylbromide
IUPAC Name 2-bromo-1-(bromomethyl)-3-fluorobenzene
InChI Key ZJSRIMJDFLFPJI-UHFFFAOYSA-N
Molecular Formula C7H5Br2F