CAS 705-29-3|1-(chloromethyl)-3-(trifluoromethyl)benzene|3-(Trifluoromethyl)benzyl chloride|1-(chloromethyl)-3-(trifluoromethyl)benzene|3-(Trifluoromethyl)benzyl chloride 98%|m-TRIFLUOROMETHYLBENZYL...

基本信息

化学结构

分子式

C₈H₆ClF₃

分子量

194.5814496

精确质量

194.01101253

电荷

InChI

InChI=1S/C8H6ClF3/c9-5-6-2-1-3-7(4-6)8(10,11)12/h1-4H,5H2

InChIKey

XGASTRVQNVVYIZ-UHFFFAOYSA-N

Canonic Smiles

ClCc1cccc(c1)C(F)(F)F

Isomeric Smiles

c1cc(cc(c1)CCl)C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.4383364

LogD (pH = 7.4)

3.4383364

Log P

3.4383364

摩尔折射率

41.8986

极化性

15.219881

极化表面积

0.0

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传统名

1-(chloromethyl)-3-(trifluoromethyl)benzene

别名

3-(Trifluoromethyl)benzyl chloride3-(Trifluoromethyl)benzyl chloride 98%m-TRIFLUOROMETHYLBENZYL CHLORIDE3-(三氟甲基)氯苄3-(Trifluoromethyl)benzyl chloride3-(Chloromethyl)benzotrifluorideα′-氯-α,α,α-三氟间二甲苯α′-Chloro-α,α,α-trifluoro-m-xylene3-(氯甲基)三氟甲苯1-(Chloromethyl)-3-(trifluoromethyl)benzene3-(三氟甲基)苄氯alpha'-Chloro-alpha,alpha,alpha-trifluoro-m-xylene

IUPAC标准名

1-(chloromethyl)-3-(trifluoromethyl)benzene

名称和标识

数据登录号

MDL号

CAS号

Beilstein号

EC号