CAS 2491-38-5|4-Hydroxyphenacyl bromide|2-bromo-1-(4-hydroxyphenyl)ethanone|2-Bromo-4'-hydroxyacetophenone|2-bromo-1-(4-hydroxyphenyl)ethan-1-one|2-Bromo-1-(4-hydroxyphenyl)ethan-1-one|Busan 90|1-(4...

基本信息

化学结构

分子式

C₈H₇BrO₂

分子量

215.04398

精确质量

213.96294146

电荷

InChI

InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2

InChIKey

LJYOFQHKEWTQRH-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1)O

Isomeric Smiles

BrCC(=O)c1ccc(cc1)O

计算属性

JChem

Acid pKa

7.74239

质子受体

质子供体

LogD (pH = 5.5)

1.9477054

LogD (pH = 7.4)

1.7887425

Log P

1.9501671

摩尔折射率

46.1784

极化性

17.463907

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

别名

4-Hydroxyphenacyl bromide2-Bromo-4'-hydroxyacetophenone2-Bromo-1-(4-hydroxyphenyl)ethan-1-oneBusan 901-(4-Hydroxyphenyl)-2-bromoethanone2-Bromo-4'-hydroxyacetophenone2-Bromo-1-(4-hydroxyphenyl)ethanoneBusan 1130α-Bromo-4'-hydroxyacetophenonep-Hydroxyphenacyl BromideButrol 11302-BroMo-1-(4-hydroxyphenyl)ethanone

IUPAC传统名

2-bromo-1-(4-hydroxyphenyl)ethanone

IUPAC标准名

2-bromo-1-(4-hydroxyphenyl)ethan-1-one

名称和标识

数据登录号

CAS号

2491-38-5

PubChem CID

4964

PubChem SID

162040268