CAS 102429-07-2|2-Bromo-2',4'-difluoroacetophenone|2-bromo-1-(2,4-difluorophenyl)ethan-1-one|2-bromo-1-(2,4-difluorophenyl)ethanone|2-Bromo-1-(2,4-difluorophenyl)ethan-1-one|2-Bromo-2',4'-difluoroac...

General Information

Structure

Molecular Formula

C₈H₅BrF₂O

Molecular Mass

235.0255064

Exact Mass

233.94918322

Charge

InChI

InChI=1S/C8H5BrF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2

InChIKey

CSGDTHXBRAAOHV-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1F)F

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

14.749829

H Acceptors

H Donor

LogD (pH = 5.5)

2.5391362

LogD (pH = 7.4)

2.5391362

Log P

2.5391362

Molar Refractivity

44.6303

Polarizability

16.52956

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Bromo-2',4'-difluoroacetophenone2-Bromo-1-(2,4-difluorophenyl)ethan-1-one2-Bromo-2',4'-difluoroacetophenone2,4-Difluorophenacyl bromide 98%2-溴-2′,4′-二氟苯乙酮2-Bromo-1-(2,4-difluorophenyl)ethanone2-Bromo-2′,4′-difluoroacetophenone2,4-Difluorophenacyl Bromide

IUPAC name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

PubChem SID

16097966724881558

PubChem CID

2774185

CAS Number

102429-07-2