CAS 5000-66-8|2-bromo-1-(2-chlorophenyl)ethanone|2-bromo-1-(2-chlorophenyl)ethan-1-one|2-Bromo-1-(2-chlorophenyl)-1-ethanone|2-溴-2′-氯苯乙酮|2-Bromo-2′-chloroacetophenone|2-bromo-1-(2-chloropheny...

基本信息

化学结构

分子式

C₈H₆BrClO

分子量

233.48964

精确质量

231.92905449

电荷

InChI

InChI=1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2

InChIKey

WZWWEVCLPKAQTA-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccccc1Cl

Isomeric Smiles

c1(C(=O)CBr)c(Cl)cccc1

计算属性

JChem

Acid pKa

15.003739

质子受体

质子供体

LogD (pH = 5.5)

2.857777

LogD (pH = 7.4)

2.857777

Log P

2.857777

摩尔折射率

49.0023

极化性

18.760376

极化表面积

17.07

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

2-Bromo-1-(2-chlorophenyl)-1-ethanone2-溴-2′-氯苯乙酮2-Bromo-2′-chloroacetophenone2-bromo-1-(2-chlorophenyl)ethan-1-one2-Bromo-1-(2-chlorophenyl)ethanone2'-Chloro-2-bromoacetophenoneo-Chlorophenacyl BromideBromomethyl 2-Chlorophenyl Ketone2-BroMo-1-(2-chlorophenyl)ethanone2-溴-2'-氯苯乙酮2-Chlorophenacyl bromide2-Bromo-2'-chloroacetophenone2-Bromo-1-(2-chlorophenyl)ethan-1-one2-Chlorophenacyl bromide, tech2-Bromo-2'-chloroacetophenone2-Bromo-2'-chloroacetophenone

IUPAC标准名

2-bromo-1-(2-chlorophenyl)ethan-1-one

IUPAC传统名

2-bromo-1-(2-chlorophenyl)ethanone

名称和标识

数据登录号

MDL号

MFCD00832993

CAS号

5000-66-8

PubChem SID

24881514162045454