CAS 290835-85-7|1-(2,6-dichloro-3-fluorophenyl)ethanone|2',6'-Dichloro-3'-fluoroacetophenone|1-(2,6-dichloro-3-fluorophenyl)ethan-1-one|1-(2,6-Dichloro-3-fluorophenyl)-1-oxoethane|1-(2,6-dichloro-3-...

General Information

Structure

Molecular Formula

C₈H₅Cl₂FO

Molecular Mass

207.0291032

Exact Mass

205.97014836

Charge

InChI

InChI=1S/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3

InChIKey

VJBFZHHRVCPAPZ-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1c(Cl)ccc(c1Cl)F

Isomeric Smiles

C(=O)(C)c1c(ccc(c1Cl)F)Cl

Calculated Properties

JChem

Acid pKa

14.917778

H Acceptors

H Donor

LogD (pH = 5.5)

2.8816845

LogD (pH = 7.4)

2.8816845

Log P

2.8816845

Molar Refractivity

46.2868

Polarizability

17.68074

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-(2,6-dichloro-3-fluorophenyl)ethanone

Synonyms

2',6'-Dichloro-3'-fluoroacetophenone1-(2,6-Dichloro-3-fluorophenyl)-1-oxoethane1-(2,6-dichloro-3-fluorophenyl)ethanone1-(2,6-Dichloro-3-fluorophenyl)ethan-1-one2',6'-Dichloro-3'-fluoroacetophenone 98%2′,6′-Dichloro-3′-fluoroacetophenone2',6'二氯-3'-氟苯乙酮2',6'-Dichloro-3'-fluoroacetophenone2',6'-二氯-3'-氟苯乙酮

IUPAC name

1-(2,6-dichloro-3-fluorophenyl)ethan-1-one

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID