CAS 456-04-2|2-Chloro-1-(4-fluorophenyl)ethan-1-one|2-Chloro-4'-fluoroacetophenone|2-chloro-1-(4-fluorophenyl)ethan-1-one|4-Fluorophenacyl chloride 99%|2-chloro-1-(4-fluorophenyl)ethanone|2-chloro-1...

General Information

Structure

Molecular Formula

C₈H₆ClFO

Molecular Mass

172.5840432

Exact Mass

172.00912071

Charge

InChI

InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

InChIKey

UJZWJOQRSMOFMA-UHFFFAOYSA-N

Canonic Smiles

ClCC(=O)c1ccc(cc1)F

Isomeric Smiles

O=C(c1ccc(cc1)F)CCl

Calculated Properties

JChem

Acid pKa

15.420586

H Acceptors

H Donor

LogD (pH = 5.5)

2.2109392

LogD (pH = 7.4)

2.2109392

Log P

2.2109392

Molar Refractivity

41.4304

Polarizability

15.622377

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Chloro-1-(4-fluorophenyl)ethan-1-one2-Chloro-4'-fluoroacetophenone4-Fluorophenacyl chloride 99%2-chloro-1-(4-fluorophenyl)ethanonep-FLUORO-α-CHLOROACETOPHENONE2-Chloro-4′-fluoroacetophenoneω-Chloro-4-fluoroacetophenone4-Fluorophenacyl chlorideω-氯-4-氟苯乙酮2-氯-4′-氟苯乙酮2-氯-4'-氟乙酰苯2-氯-4'-氟苯乙酮alpha-Chloro-4-fluoroacetophenone2-Chloro-4'-fluoroacetophenone

IUPAC name

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

IUPAC Traditional name

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

Names and Identifiers

Registration numbers

MDL Number

MFCD00011652

PubChem CID

120248

PubChem SID

16208087824848083