CAS 325142-84-5|3-Methoxyphenylboronic acid pinacol ester|2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-(3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-(3-Methoxyphenyl)-...

基本信息

化学结构

分子式

C₁₃H₁₉BO₃

分子量

234.09916

精确质量

234.14272487

电荷

InChI

InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-7-6-8-11(9-10)15-5/h6-9H,1-5H3

InChIKey

DMKREZLZDOSDQU-UHFFFAOYSA-N

Canonic Smiles

COc1cccc(c1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O1B(OC(C1(C)C)(C)C)c1cc(ccc1)OC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.6477

LogD (pH = 7.4)

3.6477

Log P

3.6477

摩尔折射率

62.1763

极化性

26.516893

极化表面积

27.69

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

3-Methoxyphenylboronic acid pinacol ester2-(3-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane3-Methoxyphenylboronic acid pinacol esterm-(Pinacolboryl)anisol3-Methoxy-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene3-Methoxybenzeneboronic acid, pinacol ester2-(3-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE

IUPAC传统名

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

IUPAC标准名

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

名称和标识

数据登录号

CAS号

325142-84-5

MDL号

MFCD05863915

PubChem SID

162035850