CAS 76437-40-6|1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene|1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene|2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide|2,3...

基本信息

化学结构

分子式

C₈H₂BrF₇

分子量

310.9943024

精确质量

309.9228096

电荷

InChI

InChI=1S/C8H2BrF7/c9-1-2-4(10)6(12)3(8(14,15)16)7(13)5(2)11/h1H2

InChIKey

WKPYRDRWTNJBQI-UHFFFAOYSA-N

Canonic Smiles

BrCc1c(F)c(F)c(c(c1F)F)C(F)(F)F

Isomeric Smiles

C(c1c(c(c(c(c1F)F)CBr)F)F)(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.194639

LogD (pH = 7.4)

4.194639

Log P

4.194639

摩尔折射率

45.7477

极化性

16.382107

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标准名

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

IUPAC传统名

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

别名

2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzyl bromide1-(Bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene4-(三氟甲基)-2,3,5,6-四氟苄基溴4-(Trifluoromethyl)-2,3,5,6-tetrafluorobenzyl bromide2,3,5,6-四氟-4-(三氟甲基)苄基溴4-(Bromomethyl)-2,3,5,6-tetrafluoro-benzotrifluoride1-(溴甲基)-2,3,5,6-四氟-4-(三氟甲基)苯

名称和标识

数据登录号

MDL号

CAS号

Beilstein号

PubChem SID

PubChem CID