CAS 536-38-9|CAS 825-40-1|2-Bromo-1-(4-chlorophenyl)ethanone|2-bromo-1-(4-chlorophenyl)ethan-1-one|2-bromo-1-(4-chlorophenyl)ethanone|2-Bromo-4'-chloroacetophenone|4-Chlorophenacyl bromide 98%|2-bro...

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)6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey

FLAYZKKEOIAALB-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1)Cl

Isomeric Smiles

C(=O)(c1ccc(cc1)Cl)CBr

计算属性

JChem

Acid pKa

15.460036

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

18.749388

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

IUPAC标准名

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

IUPAC传统名

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

别名

2-Bromo-1-(4-chlorophenyl)ethanone2-Bromo-4'-chloroacetophenone4-Chlorophenacyl bromide 98%2-Bromo-1-(4-chlorophenyl)ethan-1-one2-bromo-1-(4-chlorophenyl)ethan-1-one4-Chlorophenacyl bromide2-溴-4′-氯苯乙酮4-氯苯酰甲基溴2-Bromo-4′-chloroacetophenone2-Bromo-1-(4-chlorophenyl)ethanoneNSC 8452p-(Bromoacetyl)chlorobenzene4'-Chloro-2-bromoacetophenone4-Chlorophenylacylbromidealpha-Bromo-4-chloroacetophenone2-Bromo-4'-chloroacetophenone2-溴-4'-氯苯乙酮ω-溴-4-氯苯乙酮ω-Bromo-4-chloroacetophenoneα-BROMO-p-CHLOROACETOPHENONE2-Bromo-4'-chloroacetophenone

名称和标识

数据登录号

MDL号

MFCD00000625

CAS号

536-38-9825-40-1

PubChem SID

2485015624846535162058248

Beilstein号

607603

EC号

208-631-5