CAS 170981-26-7|2-Fluoro-4-methylphenylboronic acid|2-fluoro-4-methylphenylboronic acid|(2-fluoro-4-methylphenyl)boronic acid|2-Fluoro-4-methylbenzeneboronic acid|(2-Fluoro-4-methylphenyl)boronic Ac...

基本信息

化学结构

分子式

C₇H₈BFO₂

分子量

153.9466232

精确质量

154.06013812

电荷

InChI

InChI=1S/C7H8BFO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3

InChIKey

LIXXGOMAGHXIMP-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(c(c1)F)B(O)O

Isomeric Smiles

c1(c(cc(cc1)C)F)B(O)O

计算属性

JChem

Acid pKa

8.298301

质子受体

质子供体

LogD (pH = 5.5)

2.2458134

LogD (pH = 7.4)

2.1950681

Log P

2.2465

摩尔折射率

35.8611

极化性

14.985041

极化表面积

40.46

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-Fluoro-4-methylphenylboronic acid2-Fluoro-4-methylbenzeneboronic acid(2-Fluoro-4-methylphenyl)boronic Acid4-Methyl-2-fluorophenylboronic acid2-Fluoro-4-methylphenylboronic acid2-氟-4-甲基苯硼酸2-Fluoro-4-methylphenylboronic acid2-Fluoro-p-tolylboronic acid2-Fluoro-4-methylbenzeneboronic acid

IUPAC传统名

2-fluoro-4-methylphenylboronic acid

IUPAC标准名

(2-fluoro-4-methylphenyl)boronic acid

名称和标识

数据登录号

PubChem CID

2783132

PubChem SID

16099604624880363

MDL号

MFCD05664239