CAS 195062-57-8|2-(4-Methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane|4-Methylbenzeneboronic acid, pinacol ester|4,4,5,5-tetramethyl-2...

基本信息

化学结构

分子式

C₁₃H₁₉BO₂

分子量

218.09976

精确质量

218.14781025

电荷

InChI

InChI=1S/C13H19BO2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3

InChIKey

GKSSEDDAXXEPCP-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(c2ccc(cc2)C)OC(C(O1)(C)C)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.3676

LogD (pH = 7.4)

4.3676

Log P

4.3676

摩尔折射率

60.7543

极化性

25.781185

极化表面积

18.46

可自由旋转的化学键

里宾斯基五规则

true

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

2-(4-Methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-Methylbenzeneboronic acid, pinacol ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)TOLUENE4,4,5,5-Tetramethyl-2-(p-tolyl)-1,3,2-dioxaborolane

IUPAC标准名

4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane

IUPAC传统名

4,4,5,5-tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane

名称和标识

数据登录号

MDL号

MFCD03453662

CAS号

195062-57-8

PubChem CID

2774016