CAS 2316-64-5|4-bromo-2-(hydroxymethyl)phenol|5-Bromo-2-hydroxybenzyl alcohol|4-bromo-2-(hydroxymethyl)phenol|5-溴水杨醇|Bromosaligenin|5-Bromo-2-hydroxybenzyl alcohol|4-Bromo-2-(hydroxymethyl)pheno...

General Information

Structure

Molecular Formula

C₇H₇BrO₂

Molecular Mass

203.03328

Exact Mass

201.96294146

Charge

InChI

InChI=1S/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2

InChIKey

KNKRHSVKIORZQB-UHFFFAOYSA-N

Canonic Smiles

OCc1cc(Br)ccc1O

Isomeric Smiles

C(c1c(ccc(c1)Br)O)O

Calculated Properties

JChem

Acid pKa

9.475001

H Acceptors

H Donor

LogD (pH = 5.5)

1.6710377

LogD (pH = 7.4)

1.6674676

Log P

1.6710833

Molar Refractivity

42.4776

Polarizability

16.289894

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-bromo-2-(hydroxymethyl)phenol

Synonyms

5-Bromo-2-hydroxybenzyl alcohol5-溴水杨醇Bromosaligenin5-Bromo-2-hydroxybenzyl alcohol4-Bromo-2-(hydroxymethyl)phenol5-Bromo-2-hydroxybenzyl alcohol(5-Bromo-2-hydroxyphenyl)methanol5-Bromosalicyl alcohol5-溴-2-羟基苯甲醇溴水杨醇5-溴-2-羟基苄醇5-BroMo-2-hydroxybenzylalcohol

IUPAC name

4-bromo-2-(hydroxymethyl)phenol

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

EC Number