2-(2-fluorophenoxy)ethane-1-sulfonyl chloride

• ChemBase ID: 309430
• Molecular Formular: C8H8ClFO3S
• Molecular Mass: 238.6637232
• Monoisotopic Mass: 237.98667102
• SMILES: S(=O)(=O)(CCOc1c(F)cccc1)Cl
• Canonical SMILES: Fc1ccccc1OCCS(=O)(=O)Cl
• InChI: InChI=1S/C8H8ClFO3S/c9-14(11,12)6-5-13-8-4-2-1-3-7(8)10/h1-4H,5-6H2
• InChIKey: ZJKNPRKHHAIOFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenoxy)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(2-fluorophenoxy)ethanesulfonyl chloride
• Synonyms: 2-(2-fluorophenoxy)ethanesulfonyl chloride

Database IDs

• MDL Number: MFCD19675749

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7439635
• LogD (pH = 7.4): 1.7439635
• Log P: 1.7439635
• Molar Refractivity: 50.9956 cm^3
• Polarizability: 20.619446 Å^3
• Polar Surface Area: 43.37 Å^2