CAS 114772-54-2|2-[4-(bromomethyl)phenyl]benzonitrile|2-[4-(bromomethyl)phenyl]benzonitrile|4-Bromomethyl-2-cyanobiphenyl|4-(2-Cyanophenyl)benzyl bromide|4'-(Bromomethyl)-2-cyanobiphenyl|4'-(Bromome...

General Information

Structure

Molecular Formula

C₁₄H₁₀BrN

Molecular Mass

272.1399

Exact Mass

270.99966133

Charge

InChI

InChI=1S/C14H10BrN/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-8H,9H2

InChIKey

LFFIEVAMVPCZNA-UHFFFAOYSA-N

Canonic Smiles

BrCc1ccc(cc1)c1ccccc1C#N

Isomeric Smiles

c1(c(cccc1)C#N)c1ccc(cc1)CBr

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.249305

LogD (pH = 7.4)

4.249305

Log P

4.249305

Molar Refractivity

69.7662

Polarizability

27.490814

Polar Surface Area

23.79

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-[4-(bromomethyl)phenyl]benzonitrile

IUPAC Traditional name

2-[4-(bromomethyl)phenyl]benzonitrile

Synonyms

4-Bromomethyl-2-cyanobiphenyl4-(2-Cyanophenyl)benzyl bromide4'-(Bromomethyl)-2-cyanobiphenyl4'-(Bromomethyl)-[1,1'-biphenyl]-2-carbonitrile2-(4-Bromomethylphenyl)benzonitrile4'-(Bromomethyl)-[1,1'-biphenyl]-2-carbonitrile2-[4-(Bromomethyl)phenyl]benzonitrile4-Bromomethyl-2-cyanophenyl4′-(溴甲基)-2-氰基联苯2-氰基-4'-溴甲基联苯4'-(bromomethyl)-1,1'-biphenyl-2-carbonitrile2-Cyano-4′-bromomethylbiphenyl4′-Bromomethyl-2-biphenylcarbonitrile4′-(Bromomethyl)-2-cyanobiphenyl4'-溴甲基联苯-2-甲腈

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

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