6-chloronaphthalene-2-sulfonyl chloride

• ChemBase ID: 812725
• Molecular Formular: C10H6Cl2O2S
• Molecular Mass: 261.12444
• Monoisotopic Mass: 259.94655579
• SMILES: S(=O)(=O)(Cl)c1ccc2c(ccc(c2)Cl)c1
• Canonical SMILES: Clc1ccc2c(c1)ccc(c2)S(=O)(=O)Cl
• InChI: InChI=1S/C10H6Cl2O2S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9/h1-6H
• InChIKey: IYFIYGSJZIICOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloronaphthalene-2-sulfonyl chloride
• IUPAC Traditional name: 6-chloronaphthalene-2-sulfonyl chloride
• Synonyms: 6-CHLORO-2-NAPHTHYLSULFONYL CHLORIDE

Database IDs

• CAS Number: 102153-63-9

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: 25.726913 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%