CAS 5391-88-8|4-Bromophenyl methyl carbinol|1-(4-Bromophenyl)ethan-1-ol|4-Bromo-alpha-methylbenzyl alcohol|1-(4-bromophenyl)ethanol|p-BROMOPHENYLMETHYLCARBINOL|1-(4-bromophenyl)ethan-1-ol|1-(4-bromo...

基本信息

化学结构

分子式

C₈H₉BrO

分子量

201.06046

精确质量

199.98367691

电荷

InChI

InChI=1S/C8H9BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3

InChIKey

XTDTYSBVMBQIBT-UHFFFAOYSA-N

Canonic Smiles

CC(c1ccc(cc1)Br)O

Isomeric Smiles

OC(c1ccc(cc1)Br)C

计算属性

JChem

Acid pKa

14.772234

质子受体

质子供体

LogD (pH = 5.5)

2.3912237

LogD (pH = 7.4)

2.3912237

Log P

2.3912237

摩尔折射率

44.9155

极化性

17.40694

极化表面积

20.23

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-Bromophenyl methyl carbinol1-(4-Bromophenyl)ethan-1-ol4-Bromo-alpha-methylbenzyl alcoholp-BROMOPHENYLMETHYLCARBINOL1-(4-bromophenyl)ethan-1-ol4-溴-α-甲基苯甲醇1-(4-溴苯基)乙醇1-(4-Bromophenyl)ethanol1-(4-Bromophenyl)ethanol4-Bromo-alpha-methylbenzyl alcohol4-Bromo-α-methylbenzyl alcohol

IUPAC传统名

1-(4-bromophenyl)ethanol

IUPAC标准名

1-(4-bromophenyl)ethan-1-ol

名称和标识

数据登录号

CAS号

5391-88-8

PubChem SID

16204298824848743

PubChem CID

95352