(4-chloro-2-fluorophenyl)methanesulfonyl chloride

• ChemBase ID: 309681
• Molecular Formular: C7H5Cl2FO2S
• Molecular Mass: 243.0828032
• Monoisotopic Mass: 241.93713398
• SMILES: S(=O)(=O)(Cc1c(cc(cc1)Cl)F)Cl
• Canonical SMILES: Clc1ccc(c(c1)F)CS(=O)(=O)Cl
• InChI: InChI=1S/C7H5Cl2FO2S/c8-6-2-1-5(7(10)3-6)4-13(9,11)12/h1-3H,4H2
• InChIKey: WRWQIURFCWLMRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-2-fluorophenyl)methanesulfonyl chloride
• IUPAC Traditional name: (4-chloro-2-fluorophenyl)methanesulfonyl chloride
• Synonyms: (4-chloro-2-fluorophenyl)methanesulfonyl chloride

Database IDs

• MDL Number: MFCD11976098

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4284317
• LogD (pH = 7.4): 2.4284317
• Log P: 2.4284317
• Molar Refractivity: 49.8608 cm^3
• Polarizability: 20.029514 Å^3
• Polar Surface Area: 34.14 Å^2