3-(benzyloxy)pyridine-2-sulfonyl chloride

• ChemBase ID: 811206
• Molecular Formular: C12H10ClNO3S
• Molecular Mass: 283.7307
• Monoisotopic Mass: 283.00699187
• SMILES: n1c(c(ccc1)OCc1ccccc1)S(=O)(=O)Cl
• Canonical SMILES: ClS(=O)(=O)c1ncccc1OCc1ccccc1
• InChI: InChI=1S/C12H10ClNO3S/c13-18(15,16)12-11(7-4-8-14-12)17-9-10-5-2-1-3-6-10/h1-8H,9H2
• InChIKey: GQCGUZBQMGLOMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)pyridine-2-sulfonyl chloride
• IUPAC Traditional name: 3-(benzyloxy)pyridine-2-sulfonyl chloride
• Synonyms: 3-BENZYLOXY-PYRIDINE-2-SULFONYL CHLORIDE

Database IDs

• CAS Number: 885277-11-2

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8631358
• LogD (pH = 7.4): 2.8631358
• Log P: 2.8631358
• Molar Refractivity: 69.4846 cm^3
• Polarizability: 27.620552 Å^3
• Polar Surface Area: 56.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%