CAS 5731-01-1|4-Acetyl-4'-bromobiphenyl 90%|1-(4'-Bromobiphenyl-4-yl)ethan-1-one|4'-(4-Bromophenyl)acetophenone|1-[4-(4-bromophenyl)phenyl]ethanone|1-[4-(4-bromophenyl)phenyl]ethan-1-one|4-Acetyl-4'...

基本信息

化学结构

分子式

C₁₄H₁₁BrO

分子量

275.14054

精确质量

273.99932697

电荷

InChI

InChI=1S/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3

InChIKey

UUVKNCRMWPNBNM-UHFFFAOYSA-N

Canonic Smiles

Brc1ccc(cc1)c1ccc(cc1)C(=O)C

Isomeric Smiles

O=C(c1ccc(cc1)c1ccc(cc1)Br)C

计算属性

JChem

Acid pKa

16.090958

质子受体

质子供体

LogD (pH = 5.5)

3.9468713

LogD (pH = 7.4)

3.9468713

Log P

3.9468713

摩尔折射率

69.2198

极化性

27.654606

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

4-Acetyl-4'-bromobiphenyl 90%1-(4'-Bromobiphenyl-4-yl)ethan-1-one4'-(4-Bromophenyl)acetophenone4-Acetyl-4'-bromobiphenyl 98%4-Acetyl-4'-bromobiphenyl4'-(4-Bromophenyl)acetophenone4'-(4-溴苯基)苯乙酮4′-(4-Bromophenyl)acetophenone4′-(4-溴苯基)苯乙酮4-Acetyl-4'-broMobiphenyl

IUPAC传统名

1-[4-(4-bromophenyl)phenyl]ethanone

IUPAC标准名

1-[4-(4-bromophenyl)phenyl]ethan-1-one

名称和标识

数据登录号

CAS号

5731-01-1

EC号

227-236-9

Beilstein号

2048590