(2-chlorophenyl)methanesulfonyl fluoride

• ChemBase ID: 236270
• Molecular Formular: C7H6ClFO2S
• Molecular Mass: 208.6377432
• Monoisotopic Mass: 207.97610633
• SMILES: S(=O)(=O)(Cc1c(Cl)cccc1)F
• Canonical SMILES: Clc1ccccc1CS(=O)(=O)F
• InChI: InChI=1S/C7H6ClFO2S/c8-7-4-2-1-3-6(7)5-12(9,10)11/h1-4H,5H2
• InChIKey: AUDUPDRUYHEMHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chlorophenyl)methanesulfonyl fluoride
• IUPAC Traditional name: (2-chlorophenyl)methanesulfonyl fluoride
• Synonyms: (2-chlorophenyl)methanesulfonyl fluoride

Database IDs

• MDL Number: MFCD22196555
• PubChem SID: 164292180
• PubChem CID: 71755681

CALCULATED PROPERTIES

• Acid pKa: 17.454721
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9981405
• LogD (pH = 7.4): 1.9981405
• Log P: 1.9981405
• Molar Refractivity: 45.0094 cm^3
• Polarizability: 18.085758 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 2.537

Product Information

• Purity: 95%