8-chloronaphthalene-1-sulfonyl chloride

• ChemBase ID: 309441
• Molecular Formular: C10H6Cl2O2S
• Molecular Mass: 261.12444
• Monoisotopic Mass: 259.94655579
• SMILES: S(=O)(=O)(c1c2c(Cl)cccc2ccc1)Cl
• Canonical SMILES: Clc1cccc2c1c(ccc2)S(=O)(=O)Cl
• InChI: InChI=1S/C10H6Cl2O2S/c11-8-5-1-3-7-4-2-6-9(10(7)8)15(12,13)14/h1-6H
• InChIKey: WORJISAOMPPPTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloronaphthalene-1-sulfonyl chloride
• IUPAC Traditional name: 8-chloronaphthalene-1-sulfonyl chloride
• Synonyms: 8-chloro-1-naphthalenesulfonyl chloride

Database IDs

• CAS Number: 82-74-6
• MDL Number: MFCD11556814

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.5130703
• LogD (pH = 7.4): 3.5130703
• Log P: 3.5130703
• Molar Refractivity: 61.5072 cm^3
• Polarizability: 25.744114 Å^3
• Polar Surface Area: 34.14 Å^2