CAS 195062-61-4|2-(4-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|4-Chlorobenzeneboronic acid, pinacol ester|2-(4-chlorophenyl)-4,...

General Information

Structure

Molecular Formula

C₁₂H₁₆BClO₂

Molecular Mass

238.51824

Exact Mass

238.09318783

Charge

InChI

InChI=1S/C12H16BClO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3

InChIKey

NYARTXMDWRAVIX-UHFFFAOYSA-N

Canonic Smiles

CC1(C)OB(OC1(C)C)c1ccc(cc1)Cl

Isomeric Smiles

B1(c2ccc(cc2)Cl)OC(C(O1)(C)C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.4184

LogD (pH = 7.4)

4.4184

Log P

4.4184

Molar Refractivity

60.5179

Polarizability

25.866676

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

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

Synonyms

2-(4-Chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-Chlorobenzeneboronic acid, pinacol ester4-Chlorophenylboronic acid pinacol ester4-氯苯基硼酸频哪醇酯4-(4,4,5,5-四甲基-1,3,2-二氧杂硼烷-2-基)氯苯4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)chlorobenzene4-CHLOROPHENYLBORONIC ACID, PINACOL ESTER

IUPAC name

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

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID