CAS 126581-65-5|2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethan-1-one|2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone|2-Bromo-5'-fluoro-2'-hydroxyacetophenone|2-Bromo-5′-fluoro-2′-hydroxyacetophenone|2-溴-5...

General Information

Structure

Molecular Formula

C₈H₆BrFO₂

Molecular Mass

233.0344432

Exact Mass

231.95351965

Charge

InChI

InChI=1S/C8H6BrFO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2

InChIKey

QFYYHGPQMZTLRB-UHFFFAOYSA-N

Canonic Smiles

Oc1ccc(cc1C(=O)CBr)F

Isomeric Smiles

O=C(c1c(ccc(c1)F)O)CBr

Calculated Properties

JChem

Acid pKa

9.810239

H Acceptors

H Donor

LogD (pH = 5.5)

2.742848

LogD (pH = 7.4)

2.741196

Log P

2.7428691

Molar Refractivity

46.3948

Polarizability

17.340109

Polar Surface Area

37.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethan-1-one

Synonyms

2-Bromo-5'-fluoro-2'-hydroxyacetophenone2-Bromo-5′-fluoro-2′-hydroxyacetophenone2-溴-5′-氟-2′-羟基苯乙酮5-Fluoro-2-hydroxyphenacyl bromide5-氟-2-羟基苯甲酰甲基溴2-溴-1-(5-氟-2-羟基苯基)乙酮5-Fluoro-2-hydroxyphenacyl bromide2-Bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone

IUPAC Traditional name

2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID