6-methoxynaphthalene-2-sulfonyl chloride

• ChemBase ID: 309361
• Molecular Formular: C11H9ClO3S
• Molecular Mass: 256.70536
• Monoisotopic Mass: 255.99609283
• SMILES: S(=O)(=O)(c1cc2c(cc(cc2)OC)cc1)Cl
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)S(=O)(=O)Cl
• InChI: InChI=1S/C11H9ClO3S/c1-15-10-4-2-9-7-11(16(12,13)14)5-3-8(9)6-10/h2-7H,1H3
• InChIKey: QYCDJXYAIDWYFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxynaphthalene-2-sulfonyl chloride
• IUPAC Traditional name: 6-methoxynaphthalene-2-sulfonyl chloride
• Synonyms: 6-methoxy-2-naphthalenesulfonyl chloride

Database IDs

• CAS Number: 56875-59-3
• MDL Number: MFCD12402643

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7513542
• LogD (pH = 7.4): 2.7513542
• Log P: 2.7513542
• Molar Refractivity: 63.1656 cm^3
• Polarizability: 26.36546 Å^3
• Polar Surface Area: 43.37 Å^2