CAS 423-55-2|1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane|1-Bromoperfluorooctane|perflubron|1-Bromoperfluorooctane|1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane|...

基本信息

化学结构

分子式

C₈BrF₁₇

分子量

498.9624544

精确质量

497.89119174

电荷

InChI

InChI=1S/C8BrF17/c9-7(22,23)5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)8(24,25)26

InChIKey

WTWWXOGTJWMJHI-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

FC(C(C(C(C(C(C(C(Br)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

6.642633

LogD (pH = 7.4)

6.642633

Log P

6.642633

摩尔折射率

48.5205

极化性

19.360888

极化表面积

0.0

可自由旋转的化学键

里宾斯基五规则

false

数据来源

名称和标识

IUPAC标准名

1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane

别名

1-Bromoperfluorooctane1-Bromoperfluorooctane1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctanePerfluorooctyl bromide 99%全氟辛基溴全氟溴辛烷1-溴十七氟辛烷1-BromoheptadecafluorooctanePerfluorooctyl bromideHeptadecafluorooctyl bromide1-溴全氟辛烷1-BromoperfluorooctanePerflubron

IUPAC传统名

perflubron

名称和标识

数据登录号

MDL号

CAS号

EC号

默克索引号