CAS 1006-39-9|1-(2-bromo-4-fluorophenyl)ethanone|1-(2-bromo-4-fluorophenyl)ethan-1-one|2'-Bromo-4'-fluoroacetophenone|2'-Bromo-4'-fluoroacetophenone|1-(2-Bromo-4-fluorophenyl)ethanone|2-Bromo-4-fluo...

General Information

Structure

Molecular Formula

C₈H₆BrFO

Molecular Mass

217.0350432

Exact Mass

215.95860503

Charge

InChI

InChI=1S/C8H6BrFO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,1H3

InChIKey

RCXFSBRMWBFWMH-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(c(c1)Br)C(=O)C

Isomeric Smiles

c1c(cc(c(c1)C(=O)C)Br)F

Calculated Properties

JChem

Acid pKa

15.741865

H Acceptors

H Donor

LogD (pH = 5.5)

2.442348

LogD (pH = 7.4)

2.442348

Log P

2.442348

Molar Refractivity

44.3

Polarizability

16.70835

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

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

IUPAC name

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

Synonyms

2'-Bromo-4'-fluoroacetophenone2'-Bromo-4'-fluoroacetophenone2-Bromo-4-fluoroacetophenone1-(2-Bromo-4-fluorophenyl)ethanone1-(2-bromo-4-fluorophenyl)ethan-1-one2'-Bromo-4'-fluoroacetophenone 97%2'-Bromo-4'-fluoroacetophenone2'-溴-4'-氟苯乙酮1-(2-BroMo-4-fluorophenyl)ethanone

Names and Identifiers

Registration numbers

CAS Number

Beilstein Number

MDL Number

PubChem CID

EC Number