CAS 171364-80-0|CAS 480424-70-2|4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate|4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate|4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acet...

基本信息

化学结构

分子式

C₁₄H₁₉BO₄

分子量

262.10926

精确质量

262.13763949

电荷

InChI

InChI=1S/C14H19BO4/c1-10(16)17-12-8-6-11(7-9-12)15-18-13(2,3)14(4,5)19-15/h6-9H,1-5H3

InChIKey

KHBAJCWEQNVCSN-UHFFFAOYSA-N

Canonic Smiles

CC(=O)Oc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

O=C(Oc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

3.3993

LogD (pH = 7.4)

3.3993

Log P

3.3993

摩尔折射率

66.8455

极化性

28.42526

极化表面积

44.76

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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate4-乙酰氧基苯硼酸频哪醇酯4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate4-Acetoxyphenylboronic acid pinacol ester醋酸-4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)苯酯4-(甲氧羰基) 苯硼酸频哪酯4-(Methoxycarbonyl)phenylboronic acid pinacol ester4-(Methoxycarbonyl)benzeneboronic acid pinacol ester4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid methyl ester

IUPAC标准名

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate

IUPAC传统名

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl acetate

名称和标识

数据登录号

MDL号

MFCD02179438MFCD03453060

CAS号

171364-80-0480424-70-2

PubChem SID

16204009324880534