CAS 59933-66-3|CAS 375-73-5|nonafluorobutane-1-sulfonic acid|perfluorobutanesulfonic acid|Nonafluorobutanesulfonic acid|Perfluorobutane-1-sulphonic acid|1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphoni...

基本信息

化学结构

分子式

C₄HF₉O₃S

分子量

300.0995688

精确质量

299.95026887

电荷

InChI

InChI=1S/C4HF9O3S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H,14,15,16)

InChIKey

JGTNAGYHADQMCM-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(S(=O)(=O)O)(F)F)(F)F)(C(F)(F)F)F

Isomeric Smiles

C(S(=O)(=O)O)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

计算属性

JChem

Acid pKa

-3.314291

质子受体

质子供体

LogD (pH = 5.5)

0.2508584

LogD (pH = 7.4)

0.25085825

Log P

2.627257

摩尔折射率

32.3069

极化性

13.286682

极化表面积

54.37

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

nonafluorobutane-1-sulfonic acid

别名

Nonafluorobutanesulfonic acidPerfluorobutane-1-sulphonic acid1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulphonic acidPerfluorobutane sulfonateNonafluorobutanesulphonic acidFC-98NonaflatePerfluorobutanesulfonic acidPFBS全氟-1-丁磺酸Nonafluorobutane-1-sulfonic acid1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid

IUPAC传统名

perfluorobutanesulfonic acid

IUPAC系统名

1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic acid

名称和标识

数据登录号

PubChem SID

16097217124880050

PubChem CID

67815

CAS号

59933-66-3375-73-5