CAS 403-29-2|2-bromo-1-(4-fluorophenyl)ethan-1-one|2-Bromo-4'-fluoroacetophenone|2-bromo-1-(4-fluorophenyl)ethanone|2-Bromo-4'-fluoroacetophenone|2-Bromo-1-(4-fluorophenyl)ethan-1-one|4-Fluorophenac...

General Information

Structure

Molecular Formula

C₈H₆BrFO

Molecular Mass

217.0350432

Exact Mass

215.95860503

Charge

InChI

InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey

ZJFWCELATJMDNO-UHFFFAOYSA-N

Canonic Smiles

BrCC(=O)c1ccc(cc1)F

Isomeric Smiles

C(C(=O)c1ccc(cc1)F)Br

Calculated Properties

JChem

Acid pKa

15.553182

H Acceptors

H Donor

LogD (pH = 5.5)

2.3964343

LogD (pH = 7.4)

2.3964343

Log P

2.3964343

Molar Refractivity

44.4139

Polarizability

16.621881

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2-bromo-1-(4-fluorophenyl)ethan-1-one

Synonyms

2-Bromo-4'-fluoroacetophenone2-Bromo-4'-fluoroacetophenone2-Bromo-1-(4-fluorophenyl)ethan-1-one4-Fluorophenacyl bromide 97%2-bromo-1-(4-fluorophenyl)ethan-1-one2-溴-4′-氟苯乙酮4-Fluorophenacyl bromide4-氟苯甲酰甲基溴ω-溴-4-氟苯乙酮ω-Bromo-4-fluoroacetophenone2-Bromo-4′-fluoroacetophenone2-溴-4'-氟苯乙酮2-Bromo-1-(4-fluorophenyl)ethanone2-Bromo-4'-fluoroacetophenonealpha-Bromo-4-fluoroacetophenone

IUPAC Traditional name

2-bromo-1-(4-fluorophenyl)ethanone

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID