CAS 777061-36-6|tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate|1-Boc-5-吲哚硼酸频哪醇酯|1-Boc-5-indoleboronic acid pinacol ester|1-Boc-indole-5-boronic acid pinac...

基本信息

化学结构

分子式

C₁₉H₂₆BNO₄

分子量

343.22504

精确质量

343.19548872

电荷

InChI

InChI=1S/C19H26BNO4/c1-17(2,3)23-16(22)21-11-10-13-12-14(8-9-15(13)21)20-24-18(4,5)19(6,7)25-20/h8-12H,1-7H3

InChIKey

WPSDWNFTICAMNI-UHFFFAOYSA-N

Canonic Smiles

O=C(n1ccc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C

Isomeric Smiles

C1(C)(C)C(OB(O1)c1ccc2n(ccc2c1)C(=O)OC(C)(C)C)(C)C

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

4.9864

LogD (pH = 7.4)

4.9864

Log P

4.9864

摩尔折射率

91.4991

极化性

39.16483

极化表面积

49.69

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

tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate1-Boc-5-吲哚硼酸频哪醇酯1-Boc-5-indoleboronic acid pinacol ester1-Boc-indole-5-boronic acid pinacol ester1-Boc-吲哚-5-硼酸频哪醇酯TERT-BUTYL 5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLE-1-CARBOXYLATE5-(4,4,5,5-四甲基-1,3,2-二氧杂环硼戊烷-2-基)-1-Boc-吲哚5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-Boc-indole

IUPAC传统名

tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)indole-1-carboxylate

IUPAC标准名

tert-butyl 5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate

名称和标识

数据登录号

CAS号

777061-36-6

MDL号

MFCD05663895

PubChem SID

24883088162087133