CAS 32707-89-4|[3,5-bis(trifluoromethyl)phenyl]methanol|[3,5-bis(trifluoromethyl)phenyl]methanol|[3,5-di(trifluoromethyl)phenyl]methanol|3,5-Bis(trifluoromethyl)benzyl alcohol|3,5-Bis(trifluoromethy...

基本信息

化学结构

分子式

C₉H₆F₆O

分子量

244.1337592

精确质量

244.03228413

电荷

InChI

InChI=1S/C9H6F6O/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3,16H,4H2

InChIKey

BJTWPJOGDWRYDD-UHFFFAOYSA-N

Canonic Smiles

OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

Isomeric Smiles

c1(cc(cc(c1)CO)C(F)(F)F)C(F)(F)F

计算属性

JChem

Acid pKa

14.79082

质子受体

质子供体

LogD (pH = 5.5)

2.961593

LogD (pH = 7.4)

2.961593

Log P

2.961593

摩尔折射率

44.8213

极化性

15.672723

极化表面积

20.23

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

[3,5-bis(trifluoromethyl)phenyl]methanol

IUPAC传统名

[3,5-bis(trifluoromethyl)phenyl]methanol

别名

[3,5-di(trifluoromethyl)phenyl]methanol3,5-Bis(trifluoromethyl)benzyl alcohol3,5-Bis(trifluoromethyl)benzyl alcohol 98%3,5-Bis(trifluoromethyl)benzyl alcohol3,5-双(三氟甲基)苄醇3,5-Ditrifluoromethylbenzyl alcohol(3,5-Bis(trifluoromethyl)phenyl)methanol3,5-二(三氟甲基)苯甲醇

名称和标识

数据登录号

CAS号

EC号

PubChem SID

PubChem CID

Beilstein号