2-fluoro-5-methoxybenzene-1-sulfonyl chloride

• ChemBase ID: 291664
• Molecular Formular: C7H6ClFO3S
• Molecular Mass: 224.6371432
• Monoisotopic Mass: 223.97102095
• SMILES: O=S(=O)(c1cc(OC)ccc1F)Cl
• Canonical SMILES: COc1ccc(c(c1)S(=O)(=O)Cl)F
• InChI: InChI=1S/C7H6ClFO3S/c1-12-5-2-3-6(9)7(4-5)13(8,10)11/h2-4H,1H3
• InChIKey: MEOZOFVLIUUROW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-5-methoxybenzene-1-sulfonyl chloride
• IUPAC Traditional name: 2-fluoro-5-methoxybenzenesulfonyl chloride
• Synonyms: 2-Fluoro-5-methoxybenzene-1-sulfonyl chloride

Database IDs

• CAS Number: 1214334-01-6
• MDL Number: MFCD13185593
• PubChem SID: 180677195
• PubChem CID: 15725377

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9045795
• LogD (pH = 7.4): 1.9045795
• Log P: 1.9045795
• Molar Refractivity: 46.9318 cm^3
• Polarizability: 18.775507 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%