CAS 138500-85-3|2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane|2-[4-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaboronate|2-[4-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,...

General Information

Structure

Molecular Formula

C₁₃H₁₈BBrO₂

Molecular Mass

296.99582

Exact Mass

296.05832222

Charge

InChI

InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9H2,1-4H3

InChIKey

CBUOGMOTDGNEAW-UHFFFAOYSA-N

Canonic Smiles

BrCc1ccc(cc1)B1OC(C(O1)(C)C)(C)C

Isomeric Smiles

B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)CBr

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.5751

LogD (pH = 7.4)

4.5751

Log P

4.5751

Molar Refractivity

68.5635

Polarizability

28.45585

Polar Surface Area

18.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

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

Synonyms

2-[4-(Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaboronate2-(4-溴甲基苯基)-4,4,5,5-四甲基-[1,3,2]二氧杂硼烷4-溴甲基苯硼酸频哪醇酯2-(4-Bromomethyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane4-Bromomethylphenylboronic acid pinacol ester4-(Bromomethyl)benzeneboronic acid pinacol ester2-[(4-Bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-(Bromomethyl)phenylboronic acid pinacol ester4-溴甲基苯硼酸频哪酯2-(4-(Bromomethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane4-(Bromomethyl)benzeneboronic acid, pinacol ester4-(BROMOMETHYL)BENZENEBORONIC ACID PINACOL ESTER

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID