CAS 837392-62-8|1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)indole|1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole|1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole|1...

General Information

Structure

Molecular Formula

C₁₅H₂₀BNO₂

Molecular Mass

257.1358

Exact Mass

257.15870929

Charge

InChI

InChI=1S/C15H20BNO2/c1-14(2)15(3,4)19-16(18-14)12-6-7-13-11(10-12)8-9-17(13)5/h6-10H,1-5H3

InChIKey

JQLYKUPEQYNDFF-UHFFFAOYSA-N

Canonic Smiles

Cn1ccc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

n1(C)ccc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.2483

LogD (pH = 7.4)

4.2483

Log P

4.2483

Molar Refractivity

71.6963

Polarizability

31.01315

Polar Surface Area

23.39

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)indole

IUPAC name

1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Synonyms

1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole1-Methylindole-5-boronic acid, pinacol ester 97%1-甲基-5-吲哚硼酸频那醇酯1-甲基-5-(4,4,5,5-四甲基-1,3,2-二氧杂戊硼烷-2-基)-1H-吲哚1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole1-甲基吲哚-5-硼酸频哪醇酯1-Methylindole-5-boronic acid pinacol ester1-Methyl-5-indoleboronic acid pinacol ester

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties