CAS 262376-31-8|4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane|4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane|3-(Trifluoromethoxy)benzeneboronic acid,...

基本信息

化学结构

分子式

C₁₃H₁₆BF₃O₃

分子量

288.0705496

精确质量

288.11445943

电荷

InChI

InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-6-5-7-10(8-9)18-13(15,16)17/h5-8H,1-4H3

InChIKey

BUSBFOTXIPZTDH-UHFFFAOYSA-N

Canonic Smiles

FC(Oc1cccc(c1)B1OC(C(O1)(C)C)(C)C)(F)F

Isomeric Smiles

O(c1cc(ccc1)B1OC(C(O1)(C)C)(C)C)C(F)(F)F

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

5.5829

LogD (pH = 7.4)

5.5829

Log P

5.5829

摩尔折射率

58.7834

极化性

25.811928

极化表面积

27.69

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

IUPAC标准名

4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane

IUPAC传统名

4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane

别名

3-(Trifluoromethoxy)benzeneboronic acid, pinacol ester4,4,5,5-Tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-alpha,alpha,alpha-trifluoroanisole4,4,5,5-TETRAMETHYL-2-(3-TRIFLUOROMETHOXYPHENYL)-1,3,2-DIOXABOROLANE

名称和标识

数据登录号

MDL号

CAS号

PubChem SID

PubChem CID

数据登录号

化合物性质