CAS 60965-26-6|2-bromo-1-(2,4-dimethoxyphenyl)ethan-1-one|2-Bromo-1-(2,4-dimethoxyphenyl)ethan-1-one|2,4-Dimethoxyphenacyl bromide|2-bromo-1-(2,4-dimethoxyphenyl)ethanone|2-Bromo-2',4'-dimethoxyacet...

General Information

Structure

Molecular Formula

C₁₀H₁₁BrO₃

Molecular Mass

259.09654

Exact Mass

257.98915621

Charge

InChI

InChI=1S/C10H11BrO3/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5H,6H2,1-2H3

InChIKey

PKVBZABQCCQHLD-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1OC)OC

Isomeric Smiles

O=C(c1c(cc(cc1)OC)OC)CBr

Calculated Properties

JChem

Acid pKa

15.217636

H Acceptors

H Donor

LogD (pH = 5.5)

1.9383899

LogD (pH = 7.4)

1.9383899

Log P

1.9383899

Molar Refractivity

57.1239

Polarizability

21.899532

Polar Surface Area

35.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

2-bromo-1-(2,4-dimethoxyphenyl)ethan-1-one

Synonyms

2-Bromo-1-(2,4-dimethoxyphenyl)ethan-1-one2,4-Dimethoxyphenacyl bromide2-Bromo-2',4'-dimethoxyacetophenone2-溴-2′,4′-二甲氧基苯乙酮2-Bromo-2′,4′-dimethoxyacetophenone2-Bromo-2',4'-dimethoxyacetophenone2,4-Dimethoxyphenacyl bromide2-溴-2',4'-二甲氧基苯乙酮

IUPAC Traditional name

2-bromo-1-(2,4-dimethoxyphenyl)ethanone

Names and Identifiers

Registration numbers

EC Number

CAS Number

MDL Number

PubChem SID