CAS 2892-29-7|1-(3-chloro-4-hydroxyphenyl)ethanone|3'-Chloro-4'-hydroxyacetophenone|1-(3-chloro-4-hydroxyphenyl)ethan-1-one|1-(3-Chloro-4-hydroxyphenyl)ethan-1-one|1-(3-Chloro-4-hydroxyphenyl)-1-eth...

基本信息

化学结构

分子式

C₈H₇ClO₂

分子量

170.59298

精确质量

170.01345714

电荷

InChI

InChI=1S/C8H7ClO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3

InChIKey

GMTSPBYBJKGPJF-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1ccc(c(c1)Cl)O

Isomeric Smiles

c1(cc(c(cc1)O)Cl)C(=O)C

计算属性

JChem

Acid pKa

6.279359

质子受体

质子供体

LogD (pH = 5.5)

1.7651594

LogD (pH = 7.4)

0.72147846

Log P

1.8313727

摩尔折射率

43.2465

极化性

16.584654

极化表面积

37.3

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-(3-chloro-4-hydroxyphenyl)ethanone

别名

3'-Chloro-4'-hydroxyacetophenone1-(3-Chloro-4-hydroxyphenyl)ethan-1-one1-(3-Chloro-4-hydroxyphenyl)-1-ethanone1-(3-氯-4-羟基苯基)乙酮3′-氯-4′-羟基苯乙酮1-(3-Chloro-4-hydroxyphenyl)ethanone3′-Chloro-4′-hydroxyacetophenone1-(3-Chloro-4-hydroxyphenyl)-1-ethanone

IUPAC标准名

1-(3-chloro-4-hydroxyphenyl)ethan-1-one

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID