Benzyl Derivatives

Organic compounds that are derived from compounds that contain a benzene ring attached to a CH2 group, and have the following structure: C6H5CH2–.

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Benzyl Alcohol (NF), Fisher Chemical™

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

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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

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Benzyl Alcohol (Certified ACS), Fisher Chemical™

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Specifications

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

1-[4-(Bromomethyl)phenyl]-1H-1,2,4-triazole, 97%, Thermo Scientific™

CAS: 58419-69-5 Molecular Formula: C9H8BrN3 Molecular Weight (g/mol): 238.088 MDL Number: MFCD04113600 InChI Key: NOUAEJFAVOHNSY-UHFFFAOYSA-N Synonym: 1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole PubChem CID: 2776489 IUPAC Name: 1-[4-(bromomethyl)phenyl]-1,2,4-triazole SMILES: C1=CC(=CC=C1CBr)N2C=NC=N2

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PubChem CID	2776489
CAS	58419-69-5
Molecular Weight (g/mol)	238.088
MDL Number	MFCD04113600
SMILES	C1=CC(=CC=C1CBr)N2C=NC=N2
Synonym	1-4-bromomethyl phenyl-1h-1,2,4-triazole,1-4-bromomethyl phenyl-1,2,4-triazole,1h-1,2,4-triazole, 1-4-bromomethyl phenyl,1-4-bromomethylphenyl-1h-1,2,4-triazole,zlchem 1040,1-4-bromomethyl phenyl-1h-1,2,4-triazol,1-4-bromomethyl-phenyl-1h-1,2,4-triazole,1-4-bromo-methyl phenyl-1h-1,2,4-triazole
IUPAC Name	1-[4-(bromomethyl)phenyl]-1,2,4-triazole
InChI Key	NOUAEJFAVOHNSY-UHFFFAOYSA-N
Molecular Formula	C9H8BrN3

1,3-Benzenedimethanol, 98%

CAS: 626-18-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004649 InChI Key: YWMLORGQOFONNT-UHFFFAOYSA-N Synonym: 1,3-benzenedimethanol,3-hydroxymethyl phenyl methanol,1,3-phenylenedimethanol,1,3-dihydroxymethylbenzene,m-xylene-alpha,alpha'-diol,m-xylene glycol,m-xylylene glycol,3-hydroxymethyl phenyl methan-1-ol,m-xylylenalkohol,m-benzenedimethanol PubChem CID: 69374 IUPAC Name: [3-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)CO

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Specifications

PubChem CID	69374
CAS	626-18-6
Molecular Weight (g/mol)	138.166
MDL Number	MFCD00004649
SMILES	C1=CC(=CC(=C1)CO)CO
Synonym	1,3-benzenedimethanol,3-hydroxymethyl phenyl methanol,1,3-phenylenedimethanol,1,3-dihydroxymethylbenzene,m-xylene-alpha,alpha'-diol,m-xylene glycol,m-xylylene glycol,3-hydroxymethyl phenyl methan-1-ol,m-xylylenalkohol,m-benzenedimethanol
IUPAC Name	[3-(hydroxymethyl)phenyl]methanol
InChI Key	YWMLORGQOFONNT-UHFFFAOYSA-N
Molecular Formula	C8H10O2

3-(Trifluoromethoxy)benzyl bromide, 98%

CAS: 159689-88-0 Molecular Formula: C8H6BrF3O Molecular Weight (g/mol): 255.03 MDL Number: MFCD00061271 InChI Key: QSIVWRRHVXSDNE-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy benzyl bromide,1-bromomethyl-3-trifluoromethoxy benzene,3-trifluoromethoxybenzyl bromide,alpha-bromo-3-trifluoromethoxy toluene,3-trifluoromethoxy benzylbromide,m-trifluoromethoxy benzyl bromide,3-bromomethyl phenoxy trifluoromethane,1-bromomethyl-3-trifluoromethoxy-benzene,benzene, 1-bromomethyl-3-trifluoromethoxy PubChem CID: 737176 IUPAC Name: 1-(bromomethyl)-3-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC(CBr)=C1

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PubChem CID	737176
CAS	159689-88-0
Molecular Weight (g/mol)	255.03
MDL Number	MFCD00061271
SMILES	FC(F)(F)OC1=CC=CC(CBr)=C1
Synonym	3-trifluoromethoxy benzyl bromide,1-bromomethyl-3-trifluoromethoxy benzene,3-trifluoromethoxybenzyl bromide,alpha-bromo-3-trifluoromethoxy toluene,3-trifluoromethoxy benzylbromide,m-trifluoromethoxy benzyl bromide,3-bromomethyl phenoxy trifluoromethane,1-bromomethyl-3-trifluoromethoxy-benzene,benzene, 1-bromomethyl-3-trifluoromethoxy
IUPAC Name	1-(bromomethyl)-3-(trifluoromethoxy)benzene
InChI Key	QSIVWRRHVXSDNE-UHFFFAOYSA-N
Molecular Formula	C8H6BrF3O

4-(Chloromethyl)benzoic acid, 96%

CAS: 1642-81-5 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.592 MDL Number: MFCD00002568 InChI Key: OITNBJHJJGMFBN-UHFFFAOYSA-N Synonym: 4-chloromethyl benzoic acid,alpha-chloro-p-toluic acid,benzoic acid, 4-chloromethyl,4-carboxybenzyl chloride,4-chloromethyl-benzoic acid,alpha-chloro-p-toluylic acid,.alpha.-chloro-p-toluylic acid,pubchem15446,alpha-chloroparatoluic acid PubChem CID: 74234 IUPAC Name: 4-(chloromethyl)benzoic acid SMILES: C1=CC(=CC=C1CCl)C(=O)O

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Specifications

PubChem CID	74234
CAS	1642-81-5
Molecular Weight (g/mol)	170.592
MDL Number	MFCD00002568
SMILES	C1=CC(=CC=C1CCl)C(=O)O
Synonym	4-chloromethyl benzoic acid,alpha-chloro-p-toluic acid,benzoic acid, 4-chloromethyl,4-carboxybenzyl chloride,4-chloromethyl-benzoic acid,alpha-chloro-p-toluylic acid,.alpha.-chloro-p-toluylic acid,pubchem15446,alpha-chloroparatoluic acid
IUPAC Name	4-(chloromethyl)benzoic acid
InChI Key	OITNBJHJJGMFBN-UHFFFAOYSA-N
Molecular Formula	C8H7ClO2

m-Xylylene dibromide, 97%

CAS: 626-15-3 Molecular Formula: C8H8Br2 Molecular Weight (g/mol): 263.96 MDL Number: MFCD00000178 InChI Key: OXHOPZLBSSTTBU-UHFFFAOYSA-N Synonym: 1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene PubChem CID: 69373 IUPAC Name: 1,3-bis(bromomethyl)benzene SMILES: C1=CC(=CC(=C1)CBr)CBr

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Specifications

PubChem CID	69373
CAS	626-15-3
Molecular Weight (g/mol)	263.96
MDL Number	MFCD00000178
SMILES	C1=CC(=CC(=C1)CBr)CBr
Synonym	1,3-bis bromomethyl benzene,m-xylylene dibromide,alpha,alpha'-dibromo-m-xylene,benzene, 1,3-bis bromomethyl,m-bis bromomethyl benzene,m-xylylene bromide,ccris 1777,m-xylyene dibromide,m-xylene, .alpha.,.alpha.'-dibromo,m-.alpha.,.alpha.'-dibromoxylene
IUPAC Name	1,3-bis(bromomethyl)benzene
InChI Key	OXHOPZLBSSTTBU-UHFFFAOYSA-N
Molecular Formula	C8H8Br2

3,5-Dibromobenzyl bromide, 99%

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

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Specifications

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

4-Fluorophenylacetonitrile, 98+%

CAS: 459-22-3 Molecular Formula: C8H6FN Molecular Weight (g/mol): 135.141 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

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Specifications

PubChem CID	68016
CAS	459-22-3
Molecular Weight (g/mol)	135.141
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-Chloro-2-methoxybenzyl alcohol, 97%, Thermo Scientific Chemicals

CAS: 90296-27-8 Molecular Formula: C8H9ClO2 Molecular Weight (g/mol): 172.61 MDL Number: MFCD02683547 InChI Key: AXXPZAITCCIOIA-UHFFFAOYSA-N Synonym: 4-chloro-2-methoxybenzyl alcohol,4-chloro-2-methoxyphenyl methanol,4-chloro-2-methoxy-phenyl-methanol,benzenemethanol, 4-chloro-2-methoxy,4-chloro-2-methoxybenzyl alcohol 97 PubChem CID: 3549393 IUPAC Name: (4-chloro-2-methoxyphenyl)methanol SMILES: COC1=C(CO)C=CC(Cl)=C1

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PubChem CID	3549393
CAS	90296-27-8
Molecular Weight (g/mol)	172.61
MDL Number	MFCD02683547
SMILES	COC1=C(CO)C=CC(Cl)=C1
Synonym	4-chloro-2-methoxybenzyl alcohol,4-chloro-2-methoxyphenyl methanol,4-chloro-2-methoxy-phenyl-methanol,benzenemethanol, 4-chloro-2-methoxy,4-chloro-2-methoxybenzyl alcohol 97
IUPAC Name	(4-chloro-2-methoxyphenyl)methanol
InChI Key	AXXPZAITCCIOIA-UHFFFAOYSA-N
Molecular Formula	C8H9ClO2

4-(chloromethyl)benzoyl chloride, 97%

CAS: 876-08-4 Molecular Formula: C₈H₆Cl₂O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00053224 InChI Key: RCOVTJVRTZGSBP-UHFFFAOYSA-N Synonym: 4-chloromethyl benzoyl chloride,benzoyl chloride, 4-chloromethyl,4-chloromethyl benzoylchloride,4-chloromethyl-benzoyl chloride,acmc-209qop,4-chlormethylbenzoylchloride,4-chloromethylbenzoylchloride,4-chlormethyl benzoylchlorid,p-chloromethylbenzoyl chloride PubChem CID: 70136 IUPAC Name: 4-(chloromethyl)benzoyl chloride SMILES: C1=CC(=CC=C1CCl)C(=O)Cl

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Specifications

PubChem CID	70136
CAS	876-08-4
Molecular Weight (g/mol)	189.04
MDL Number	MFCD00053224
SMILES	C1=CC(=CC=C1CCl)C(=O)Cl
Synonym	4-chloromethyl benzoyl chloride,benzoyl chloride, 4-chloromethyl,4-chloromethyl benzoylchloride,4-chloromethyl-benzoyl chloride,acmc-209qop,4-chlormethylbenzoylchloride,4-chloromethylbenzoylchloride,4-chlormethyl benzoylchlorid,p-chloromethylbenzoyl chloride
IUPAC Name	4-(chloromethyl)benzoyl chloride
InChI Key	RCOVTJVRTZGSBP-UHFFFAOYSA-N
Molecular Formula	C₈H₆Cl₂O

2-Benzyloxyethanol, 98%

CAS: 622-08-2 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002868 InChI Key: CUZKCNWZBXLAJX-UHFFFAOYSA-N Synonym: 2-benzyloxy ethanol,2-benzyloxyethanol,ethanol, 2-phenylmethoxy,ethylene glycol monobenzyl ether,2-benzyloxy-1-ethanol,benzyl cellosolve,glycol benzyl ether,ethanol, 2-benzyloxy,glycol monobenzyl ether PubChem CID: 12141 IUPAC Name: 2-phenylmethoxyethanol SMILES: OCCOCC1=CC=CC=C1

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Specifications

PubChem CID	12141
CAS	622-08-2
Molecular Weight (g/mol)	152.19
MDL Number	MFCD00002868
SMILES	OCCOCC1=CC=CC=C1
Synonym	2-benzyloxy ethanol,2-benzyloxyethanol,ethanol, 2-phenylmethoxy,ethylene glycol monobenzyl ether,2-benzyloxy-1-ethanol,benzyl cellosolve,glycol benzyl ether,ethanol, 2-benzyloxy,glycol monobenzyl ether
IUPAC Name	2-phenylmethoxyethanol
InChI Key	CUZKCNWZBXLAJX-UHFFFAOYSA-N
Molecular Formula	C9H12O2

3-Nitrobenzyl chloride, 98%

CAS: 619-23-8 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007272 InChI Key: APGGSERFJKEWFG-UHFFFAOYSA-N Synonym: 3-nitrobenzyl chloride,1-chloromethyl-3-nitrobenzene,m-nitrobenzyl chloride,alpha-chloro-3-nitrotoluene,benzene, 1-chloromethyl-3-nitro,toluene, alpha-chloro-m-nitro,.alpha.-chloro-m-nitrotoluene,unii-ojl133898o,3-nitrobenzylchloride,ccris 2324 PubChem CID: 12078 IUPAC Name: 1-(chloromethyl)-3-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC(CCl)=C1

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Specifications

PubChem CID	12078
CAS	619-23-8
Molecular Weight (g/mol)	171.58
MDL Number	MFCD00007272
SMILES	[O-][N+](=O)C1=CC=CC(CCl)=C1
Synonym	3-nitrobenzyl chloride,1-chloromethyl-3-nitrobenzene,m-nitrobenzyl chloride,alpha-chloro-3-nitrotoluene,benzene, 1-chloromethyl-3-nitro,toluene, alpha-chloro-m-nitro,.alpha.-chloro-m-nitrotoluene,unii-ojl133898o,3-nitrobenzylchloride,ccris 2324
IUPAC Name	1-(chloromethyl)-3-nitrobenzene
InChI Key	APGGSERFJKEWFG-UHFFFAOYSA-N
Molecular Formula	C7H6ClNO2

(R)-(+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, 99%

CAS: 20445-31-2 Molecular Formula: C10H9F3O3 Molecular Weight (g/mol): 234.17 MDL Number: MFCD00004184 InChI Key: JJYKJUXBWFATTE-UHFFFAOYNA-N Synonym: +-mtpa,unii-27o5l9t1wm,r-moshers acid,+-mosher's acid,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-alpha-methoxy-alpha-trifluoromethylphenylacetic acid,r-mtpa,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-a-methoxy-a-trifluoromethylphenylacetic acid,r-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid PubChem CID: 2723917 IUPAC Name: (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid SMILES: COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F

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Specifications

PubChem CID	2723917
CAS	20445-31-2
Molecular Weight (g/mol)	234.17
MDL Number	MFCD00004184
SMILES	COC(C(O)=O)(C1=CC=CC=C1)C(F)(F)F
Synonym	+-mtpa,unii-27o5l9t1wm,r-moshers acid,+-mosher's acid,2r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-alpha-methoxy-alpha-trifluoromethylphenylacetic acid,r-mtpa,r-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid,r-+-a-methoxy-a-trifluoromethylphenylacetic acid,r-3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid
IUPAC Name	(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid
InChI Key	JJYKJUXBWFATTE-UHFFFAOYNA-N
Molecular Formula	C10H9F3O3

alpha-Bromo-2,6-difluorotoluene, 97%

CAS: 85118-00-9 Molecular Formula: C7H5BrF2 Molecular Weight (g/mol): 207.02 MDL Number: MFCD00000329 InChI Key: LSXJPJGBWSZHTM-UHFFFAOYSA-N Synonym: 2,6-difluorobenzyl bromide,2-bromomethyl-1,3-difluorobenzene,2,6-difluorobenzylbromide,alpha-bromo-2,6-difluorotoluene,benzene, 2-bromomethyl-1,3-difluoro,timtec-bb sbb006564,2-bromomethyl-1,3-difluoro-benzene,fr cf b1e,pubchem4915,acmc-209q4j PubChem CID: 581435 IUPAC Name: 2-(bromomethyl)-1,3-difluorobenzene SMILES: FC1=CC=CC(F)=C1CBr

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Specifications

PubChem CID	581435
CAS	85118-00-9
Molecular Weight (g/mol)	207.02
MDL Number	MFCD00000329
SMILES	FC1=CC=CC(F)=C1CBr
Synonym	2,6-difluorobenzyl bromide,2-bromomethyl-1,3-difluorobenzene,2,6-difluorobenzylbromide,alpha-bromo-2,6-difluorotoluene,benzene, 2-bromomethyl-1,3-difluoro,timtec-bb sbb006564,2-bromomethyl-1,3-difluoro-benzene,fr cf b1e,pubchem4915,acmc-209q4j
IUPAC Name	2-(bromomethyl)-1,3-difluorobenzene
InChI Key	LSXJPJGBWSZHTM-UHFFFAOYSA-N
Molecular Formula	C7H5BrF2

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