CAS 455-15-2|4-Fluorophenyl methyl sulphone 98%|1-Fluoro-4-(methylsulphonyl)benzene|1-fluoro-4-methanesulfonylbenzene|1-fluoro-4-methanesulfonylbenzene|4-Fluorophenyl methyl sulfone|对氟苯甲砜|1-Flu...

General Information

Structure

Molecular Formula

C₇H₇FO₂S

Molecular Mass

174.1926832

Exact Mass

174.01507868

Charge

InChI

InChI=1S/C7H7FO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3

InChIKey

DPJHZJGAGIWXTD-UHFFFAOYSA-N

Canonic Smiles

Fc1ccc(cc1)S(=O)(=O)C

Isomeric Smiles

CS(=O)(=O)c1ccc(cc1)F

Calculated Properties

JChem

Acid pKa

19.712345

H Acceptors

H Donor

LogD (pH = 5.5)

0.9562563

LogD (pH = 7.4)

0.9562563

Log P

0.9562563

Molar Refractivity

40.278

Polarizability

16.044693

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1-Fluoro-4-(methylsulphonyl)benzene4-Fluorophenyl methyl sulphone 98%4-Fluorophenyl methyl sulfone1-Fluoro-4-methanesulfonylbenzeneNSC 226256对氟苯甲砜Methyl 4-Fluorophenyl Sulfone4-Methylsulfonyl-1-fluorobenzenep-Fluorophenyl Methyl Sulfone1-Fluoro-4-(methylsulfonyl)benzeneSulfone, p-Fluorophenyl Methyl Sulfone4-Fluorophenyl methyl sulfone1-Fluoro-4-(methylsulfonyl)benzene

IUPAC Traditional name

1-fluoro-4-methanesulfonylbenzene

IUPAC name

1-fluoro-4-methanesulfonylbenzene

Names and Identifiers

Registration numbers

CAS Number

455-15-2

MDL Number

MFCD00039753

PubChem SID

24851109160971632