CAS 2632-13-5|2-Bromo-4'-methoxyacetophenone|4-Methoxyphenacyl bromide|4-(Bromoacetyl)anisole|2-bromo-1-(4-methoxyphenyl)ethan-1-one|2-bromo-1-(4-methoxyphenyl)ethanone|2-Bromo-1-(4-methoxyphenyl)et...

基本信息

化学结构

分子式

C₉H₉BrO₂

分子量

229.07056

精确质量

227.97859153

电荷

InChI

InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3

InChIKey

XQJAHBHCLXUGEP-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1)OC

Isomeric Smiles

O=C(c1ccc(cc1)OC)CBr

计算属性

JChem

Acid pKa

15.682729

质子受体

质子供体

LogD (pH = 5.5)

2.0960612

LogD (pH = 7.4)

2.0960612

Log P

2.0960612

摩尔折射率

50.6607

极化性

19.334612

极化表面积

26.3

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

2-Bromo-4'-methoxyacetophenone4-Methoxyphenacyl bromide4-(Bromoacetyl)anisole2-Bromo-1-(4-methoxyphenyl)ethan-1-one2-bromo-1-(4-methoxyphenyl)ethan-1-one4-Methoxyphenacyl bromideω-溴-4-甲氧基苯乙酮ω-Bromo-4-methoxyacetophenone4-甲氧基苯甲酰基甲基溴2-Bromo-4′-methoxyacetophenone2-溴-4′-甲氧基苯乙酮Bromomethyl 4-Methoxyphenyl Ketoneα-Bromo-4'-methoxyacetophenone4-Methoxy-2'-bromoacetophenoneNSC 1290102-(4-Methoxyphenyl)-2-oxoethyl bromide2-bromo-1-(4-methoxyphenyl)ethanoneα-Bromo-p-methoxyacetophenoneBromomethyl p-Methoxyphenyl Ketonep-Methoxyphenacyl Bromideω-Bromo-p-methoxyacetophenone2-Bromo-1-(4-methoxyphenyl)-1-ethanone2-Bromo-1-[4-(methyloxy)phenyl]ethanone2-Bromo-p-methoxyacetophenone4'-Methoxyphenacyl Bromide2-Bromo-1-(4-methoxyphenyl)ethanoneBromomethyl p-Anisyl Ketone2-Bromo-4'-methoxyacetophenoneω-Bromo-4'-methoxyacetophenonealpha-Bromo-4-methoxyacetophenone2-Bromo-4'-methoxyacetophenone2-溴-4'-甲氧基苯乙酮

IUPAC标准名

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

IUPAC传统名

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

名称和标识

数据登录号

MDL号

MFCD00000201

CAS号

2632-13-5

EC号

220-118-8