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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3,961 – 3,975 of 119,712 results

3,961

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3-Bromo-4-fluorobenzyl alcohol, 97%

CAS: 77771-03-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00143093 InChI Key: HNVVROFWONXXGO-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobenzyl alcohol,3-bromo-4-fluorophenyl methanol,3-bromo-4-fluorobenzylalcohol,3-bromo-4-fluoro-phenyl-methanol,3-bromo-4-fluorophenyl methan-1-ol,pubchem4884,4-fluoro-3-bromobenzyl alcohol,3-bromo-4-fluoro-benzyl alcohol,4-fluoro-3-bromo-benzyl alcohol,3-bromo-4-fluoro benzyl alcohol PubChem CID: 2773351 IUPAC Name: (3-bromo-4-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1CO)Br)F

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Specifications

PubChem CID	2773351
CAS	77771-03-0
Molecular Weight (g/mol)	205.026
MDL Number	MFCD00143093
SMILES	C1=CC(=C(C=C1CO)Br)F
Synonym	3-bromo-4-fluorobenzyl alcohol,3-bromo-4-fluorophenyl methanol,3-bromo-4-fluorobenzylalcohol,3-bromo-4-fluoro-phenyl-methanol,3-bromo-4-fluorophenyl methan-1-ol,pubchem4884,4-fluoro-3-bromobenzyl alcohol,3-bromo-4-fluoro-benzyl alcohol,4-fluoro-3-bromo-benzyl alcohol,3-bromo-4-fluoro benzyl alcohol
IUPAC Name	(3-bromo-4-fluorophenyl)methanol
InChI Key	HNVVROFWONXXGO-UHFFFAOYSA-N
Molecular Formula	C7H6BrFO

3,962

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3,4,5-Trifluorobenzyl bromide, 97%

CAS: 220141-72-0 Molecular Formula: C7H4BrF3 Molecular Weight (g/mol): 225.01 MDL Number: MFCD00083528 InChI Key: MPEKZIYOLQCWLL-UHFFFAOYSA-N Synonym: 3,4,5-trifluorobenzyl bromide,5-bromomethyl-1,2,3-trifluorobenzene,3,4,5-trifluorobenzylbromide,alpha-bromo-3,4,5-trifluorotoluene,3,4,5-trifluoro benzyl bromide,benzene, 5-bromomethyl-1,2,3-trifluoro,a-bromo-3,4,5-trifluorotoluene,pubchem4670,acmc-1cupe PubChem CID: 2777062 IUPAC Name: 5-(bromomethyl)-1,2,3-trifluorobenzene SMILES: FC1=CC(CBr)=CC(F)=C1F

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Specifications

PubChem CID	2777062
CAS	220141-72-0
Molecular Weight (g/mol)	225.01
MDL Number	MFCD00083528
SMILES	FC1=CC(CBr)=CC(F)=C1F
Synonym	3,4,5-trifluorobenzyl bromide,5-bromomethyl-1,2,3-trifluorobenzene,3,4,5-trifluorobenzylbromide,alpha-bromo-3,4,5-trifluorotoluene,3,4,5-trifluoro benzyl bromide,benzene, 5-bromomethyl-1,2,3-trifluoro,a-bromo-3,4,5-trifluorotoluene,pubchem4670,acmc-1cupe
IUPAC Name	5-(bromomethyl)-1,2,3-trifluorobenzene
InChI Key	MPEKZIYOLQCWLL-UHFFFAOYSA-N
Molecular Formula	C7H4BrF3

3,963

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4-Iodo-2-nitrotoluene, 97%

CAS: 41252-97-5 Molecular Formula: C7H6INO2 Molecular Weight (g/mol): 263.034 MDL Number: MFCD00051090 InChI Key: QLMRDNPXYNJQMQ-UHFFFAOYSA-N Synonym: 4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene PubChem CID: 170481 IUPAC Name: 4-iodo-1-methyl-2-nitrobenzene SMILES: CC1=C(C=C(C=C1)I)[N+](=O)[O-]

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Specifications

PubChem CID	170481
CAS	41252-97-5
Molecular Weight (g/mol)	263.034
MDL Number	MFCD00051090
SMILES	CC1=C(C=C(C=C1)I)[N+](=O)[O-]
Synonym	4-iodo-2-nitrotoluene,benzene, 4-iodo-1-methyl-2-nitro,pubchem15938,2-nitro-4-iodotoluene,acmc-1apfk,maybridge1_008109,ksc493s9d,4-iodo-1-methyl-2-nitro-benzene
IUPAC Name	4-iodo-1-methyl-2-nitrobenzene
InChI Key	QLMRDNPXYNJQMQ-UHFFFAOYSA-N
Molecular Formula	C7H6INO2

3,964

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2,2',4,4'-Tetrahydroxybenzophenone, 98+%

CAS: 131-55-5 Molecular Formula: C13H10O5 Molecular Weight (g/mol): 246.218 MDL Number: MFCD00002278 InChI Key: WXNRYSGJLQFHBR-UHFFFAOYSA-N Synonym: 2,2',4,4'-tetrahydroxybenzophenone,bis 2,4-dihydroxyphenyl methanone,benzophenone-2,uvinol d-50,uvinul d-50,methanone, bis 2,4-dihydroxyphenyl,2,4,2',4'-tetrahydroxybenzophenone,unii-prr8k3h9vn,2,2',4,4'-tetrehydroxybenzophenone,prr8k3h9vn PubChem CID: 8571 IUPAC Name: bis(2,4-dihydroxyphenyl)methanone SMILES: C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O

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Specifications

PubChem CID	8571
CAS	131-55-5
Molecular Weight (g/mol)	246.218
MDL Number	MFCD00002278
SMILES	C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O
Synonym	2,2',4,4'-tetrahydroxybenzophenone,bis 2,4-dihydroxyphenyl methanone,benzophenone-2,uvinol d-50,uvinul d-50,methanone, bis 2,4-dihydroxyphenyl,2,4,2',4'-tetrahydroxybenzophenone,unii-prr8k3h9vn,2,2',4,4'-tetrehydroxybenzophenone,prr8k3h9vn
IUPAC Name	bis(2,4-dihydroxyphenyl)methanone
InChI Key	WXNRYSGJLQFHBR-UHFFFAOYSA-N
Molecular Formula	C13H10O5

3,965

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Methyl 4,5-dimethoxy-2-nitrobenzoate, 97%

CAS: 26791-93-5 Molecular Formula: C10H11NO6 Molecular Weight (g/mol): 241.199 MDL Number: MFCD00007239 InChI Key: SYYKLKHBZGFKOC-UHFFFAOYSA-N Synonym: methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate PubChem CID: 117867 IUPAC Name: methyl 4,5-dimethoxy-2-nitrobenzoate SMILES: COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC

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Specifications

PubChem CID	117867
CAS	26791-93-5
Molecular Weight (g/mol)	241.199
MDL Number	MFCD00007239
SMILES	COC1=C(C=C(C(=C1)C(=O)OC)[N+](=O)[O-])OC
Synonym	methyl 6-nitroveratrate,benzoic acid, 4,5-dimethoxy-2-nitro-, methyl ester,6-nitroveratric acid methyl ester,4,5-dimethoxy-2-nitrobenzoic acid, methyl ester,methyl 4,5-dimethoxy-2-nitro-benzoate,acmc-1cptq,ksc496m9r,methyl 3,4-dimethoxy-6-nitrobenzoate,methyl 3,4-dimethoxy-6-nitro-benzoate,methyl 4,5-dimethoxy-2-nitrobenzoate
IUPAC Name	methyl 4,5-dimethoxy-2-nitrobenzoate
InChI Key	SYYKLKHBZGFKOC-UHFFFAOYSA-N
Molecular Formula	C10H11NO6

3,966

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4-Aminobenzamide, 98+%

CAS: 2835-68-9 Molecular Formula: C7H8N2O Molecular Weight (g/mol): 136.154 MDL Number: MFCD00007999 InChI Key: QIKYZXDTTPVVAC-UHFFFAOYSA-N Synonym: p-aminobenzamide,benzamide, 4-amino,4-amino-benzamide,p-carbamoylaniline,p-aminobenzoic acid amide,benzamide, p-amino,4-amino benzamide,unii-77722i6pac,ccris 6792,aminobenzamide-4 PubChem CID: 76079 IUPAC Name: 4-aminobenzamide SMILES: C1=CC(=CC=C1C(=O)N)N

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Specifications

PubChem CID	76079
CAS	2835-68-9
Molecular Weight (g/mol)	136.154
MDL Number	MFCD00007999
SMILES	C1=CC(=CC=C1C(=O)N)N
Synonym	p-aminobenzamide,benzamide, 4-amino,4-amino-benzamide,p-carbamoylaniline,p-aminobenzoic acid amide,benzamide, p-amino,4-amino benzamide,unii-77722i6pac,ccris 6792,aminobenzamide-4
IUPAC Name	4-aminobenzamide
InChI Key	QIKYZXDTTPVVAC-UHFFFAOYSA-N
Molecular Formula	C7H8N2O

3,967

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2,4-Difluorobenzaldehyde, 98%

CAS: 1550-35-2 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.11 MDL Number: MFCD00010326 InChI Key: WCGPCBACLBHDCI-UHFFFAOYSA-N PubChem CID: 73770 IUPAC Name: 2,4-difluorobenzaldehyde SMILES: FC1=CC=C(C=O)C(F)=C1

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Specifications

PubChem CID	73770
CAS	1550-35-2
Molecular Weight (g/mol)	142.11
MDL Number	MFCD00010326
SMILES	FC1=CC=C(C=O)C(F)=C1
IUPAC Name	2,4-difluorobenzaldehyde
InChI Key	WCGPCBACLBHDCI-UHFFFAOYSA-N
Molecular Formula	C7H4F2O

3,968

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1-Bromo-4-nitrobenzene, 98%

CAS: 586-78-7 Molecular Formula: C6H4BrNO2 Molecular Weight (g/mol): 202.01 MDL Number: MFCD00007280 InChI Key: ZDFBKZUDCQQKAC-UHFFFAOYSA-N Synonym: 4-bromonitrobenzene,4-nitrobromobenzene,p-bromonitrobenzene,benzene, 1-bromo-4-nitro,p-nitrobromobenzene,4-nitrophenyl bromide,4-bromo-1-nitrobenzene,p-nitrophenyl bromide,1-bromo-4-nitro-benzene,ccris 3115 PubChem CID: 11466 IUPAC Name: 1-bromo-4-nitrobenzene SMILES: [O-][N+](=O)C1=CC=C(Br)C=C1

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Specifications

PubChem CID	11466
CAS	586-78-7
Molecular Weight (g/mol)	202.01
MDL Number	MFCD00007280
SMILES	[O-][N+](=O)C1=CC=C(Br)C=C1
Synonym	4-bromonitrobenzene,4-nitrobromobenzene,p-bromonitrobenzene,benzene, 1-bromo-4-nitro,p-nitrobromobenzene,4-nitrophenyl bromide,4-bromo-1-nitrobenzene,p-nitrophenyl bromide,1-bromo-4-nitro-benzene,ccris 3115
IUPAC Name	1-bromo-4-nitrobenzene
InChI Key	ZDFBKZUDCQQKAC-UHFFFAOYSA-N
Molecular Formula	C6H4BrNO2

3,969

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Veratrole, 99%

CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC

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Specifications

PubChem CID	7043
CAS	91-16-7
Molecular Weight (g/mol)	138.166
ChEBI	CHEBI:59114
MDL Number	MFCD00008357
SMILES	COC1=CC=CC=C1OC
Synonym	veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy
IUPAC Name	1,2-dimethoxybenzene
InChI Key	ABDKAPXRBAPSQN-UHFFFAOYSA-N
Molecular Formula	C8H10O2

3,970

Schiff's Reagent

CAS: 569-61-9 Molecular Formula: C19H18ClN3 Molecular Weight (g/mol): 323.824 MDL Number: MFCD00081985 InChI Key: JUQPZRLQQYSMEQ-UHFFFAOYSA-N Synonym: basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin PubChem CID: 11292 ChEBI: CHEBI:87663 IUPAC Name: 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl

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Specifications

PubChem CID	11292
CAS	569-61-9
Molecular Weight (g/mol)	323.824
ChEBI	CHEBI:87663
MDL Number	MFCD00081985
SMILES	C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl
Synonym	basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin
IUPAC Name	4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride
InChI Key	JUQPZRLQQYSMEQ-UHFFFAOYSA-N
Molecular Formula	C19H18ClN3

3,971

[3-(2-Furyl)phenyl]methanol, ≥97%, Thermo Scientific™

CAS: 89929-93-1 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.199 MDL Number: MFCD06203100 InChI Key: SBTRFADZILHXNG-UHFFFAOYSA-N Synonym: 3-2-furyl phenyl methanol,3-furan-2-yl phenyl methanol,3-2-furyl benzyl alcohol,3-2-furyl benzenemethanol,3-2-furanyl phenylmethanol,3-2-furanyl-phenylmethanol,3-2-furanyl phenyl methanol,3-2-furyl phenyl methan-1-ol PubChem CID: 11116545 IUPAC Name: [3-(furan-2-yl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)C2=CC=CO2

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Specifications

PubChem CID	11116545
CAS	89929-93-1
Molecular Weight (g/mol)	174.199
MDL Number	MFCD06203100
SMILES	C1=CC(=CC(=C1)CO)C2=CC=CO2
Synonym	3-2-furyl phenyl methanol,3-furan-2-yl phenyl methanol,3-2-furyl benzyl alcohol,3-2-furyl benzenemethanol,3-2-furanyl phenylmethanol,3-2-furanyl-phenylmethanol,3-2-furanyl phenyl methanol,3-2-furyl phenyl methan-1-ol
IUPAC Name	[3-(furan-2-yl)phenyl]methanol
InChI Key	SBTRFADZILHXNG-UHFFFAOYSA-N
Molecular Formula	C11H10O2

3,972

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3-Fluorobenzyl alcohol, 98%

CAS: 456-47-3 Molecular Formula: C7H7FO Molecular Weight (g/mol): 126.13 MDL Number: MFCD00004631 InChI Key: QDHRSLFSDGCJFX-UHFFFAOYSA-N Synonym: 3-fluorobenzyl alcohol,3-fluorophenyl methanol,m-fluorobenzyl alcohol,benzenemethanol, 3-fluoro,3-fluorobenzylalcohol,3-fluorobenzylic alcohol,benzyl alcohol, m-fluoro,3-fluorophenyl methan-1-ol,3-florobenzyl alcohol,pubchem3486 PubChem CID: 68008 IUPAC Name: (3-fluorophenyl)methanol SMILES: C1=CC(=CC(=C1)F)CO

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Specifications

PubChem CID	68008
CAS	456-47-3
Molecular Weight (g/mol)	126.13
MDL Number	MFCD00004631
SMILES	C1=CC(=CC(=C1)F)CO
Synonym	3-fluorobenzyl alcohol,3-fluorophenyl methanol,m-fluorobenzyl alcohol,benzenemethanol, 3-fluoro,3-fluorobenzylalcohol,3-fluorobenzylic alcohol,benzyl alcohol, m-fluoro,3-fluorophenyl methan-1-ol,3-florobenzyl alcohol,pubchem3486
IUPAC Name	(3-fluorophenyl)methanol
InChI Key	QDHRSLFSDGCJFX-UHFFFAOYSA-N
Molecular Formula	C7H7FO

3,973

(2-Thien-2-ylphenyl)methanol, 97%, Thermo Scientific™

CAS: 773872-97-2 Molecular Formula: C11H10OS Molecular Weight (g/mol): 190.26 MDL Number: MFCD06203081 InChI Key: IUULMJAEIKVTKZ-UHFFFAOYSA-N Synonym: 2-thien-2-ylphenyl methanol,2-thiophen-2-yl phenyl methanol,2-thien-2-yl phenyl methanol,2-thiophen-2-ylphenyl methanol,2-2-thienyl phenyl methanol,benzenemethanol,2-2-thienyl,2-2-thienyl phenyl methan-1-ol PubChem CID: 2795559 SMILES: OCC1=CC=CC=C1C1=CC=CS1

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Specifications

PubChem CID	2795559
CAS	773872-97-2
Molecular Weight (g/mol)	190.26
MDL Number	MFCD06203081
SMILES	OCC1=CC=CC=C1C1=CC=CS1
Synonym	2-thien-2-ylphenyl methanol,2-thiophen-2-yl phenyl methanol,2-thien-2-yl phenyl methanol,2-thiophen-2-ylphenyl methanol,2-2-thienyl phenyl methanol,benzenemethanol,2-2-thienyl,2-2-thienyl phenyl methan-1-ol
InChI Key	IUULMJAEIKVTKZ-UHFFFAOYSA-N
Molecular Formula	C11H10OS

3,974

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4-(Bromomethyl)phenylacetic acid, 97%

CAS: 13737-36-5 Molecular Formula: C₉H₉BrO₂ Molecular Weight (g/mol): 229.07 MDL Number: MFCD00010632 InChI Key: WCOCCXZFEJGHTC-UHFFFAOYSA-N Synonym: 4-bromomethyl phenylacetic acid,4-bromomethylphenylacetic acid,2-4-bromomethyl phenyl acetic acid,pam acid,br-pam-linker,4-carboxymethyl benzyl bromide,4-bromomethyl phenyl acetic acid,4-bromomethyl phenylaceticacid PubChem CID: 4519056 IUPAC Name: 2-[4-(bromomethyl)phenyl]acetic acid SMILES: C1=CC(=CC=C1CC(=O)O)CBr

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Specifications

PubChem CID	4519056
CAS	13737-36-5
Molecular Weight (g/mol)	229.07
MDL Number	MFCD00010632
SMILES	C1=CC(=CC=C1CC(=O)O)CBr
Synonym	4-bromomethyl phenylacetic acid,4-bromomethylphenylacetic acid,2-4-bromomethyl phenyl acetic acid,pam acid,br-pam-linker,4-carboxymethyl benzyl bromide,4-bromomethyl phenyl acetic acid,4-bromomethyl phenylaceticacid
IUPAC Name	2-[4-(bromomethyl)phenyl]acetic acid
InChI Key	WCOCCXZFEJGHTC-UHFFFAOYSA-N
Molecular Formula	C₉H₉BrO₂

3,975

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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

Benzene and substituted derivatives

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