CAS 114772-54-2|2-[4-(bromomethyl)phenyl]benzonitrile|2-[4-(bromomethyl)phenyl]benzonitrile|4-Bromomethyl-2-cyanobiphenyl|4-Bromomethyl-2-cyanophenyl|4'-(Bromomethyl)-[1,1'-biphenyl]-2-carbonitrile|...

基本信息

化学结构

分子式

C₁₄H₁₀BrN

分子量

272.1399

精确质量

270.99966133

电荷

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

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.249305

LogD (pH = 7.4)

4.249305

Log P

4.249305

摩尔折射率

69.7662

极化性

27.490814

极化表面积

23.79

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

2-[4-(bromomethyl)phenyl]benzonitrile

IUPAC传统名

2-[4-(bromomethyl)phenyl]benzonitrile

别名

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

名称和标识

数据登录号

CAS号

MDL号

PubChem CID

PubChem SID

EC号