3-ethyl-4-methoxybenzene-1-sulfonyl chloride

• ChemBase ID: 309653
• Molecular Formular: C9H11ClO3S
• Molecular Mass: 234.69984
• Monoisotopic Mass: 234.01174289
• SMILES: S(=O)(=O)(c1cc(c(cc1)OC)CC)Cl
• Canonical SMILES: CCc1cc(ccc1OC)S(=O)(=O)Cl
• InChI: InChI=1S/C9H11ClO3S/c1-3-7-6-8(14(10,11)12)4-5-9(7)13-2/h4-6H,3H2,1-2H3
• InChIKey: LKFURLPDNDFSNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-4-methoxybenzene-1-sulfonyl chloride
• IUPAC Traditional name: 3-ethyl-4-methoxybenzenesulfonyl chloride
• Synonyms: 3-ethyl-4-methoxybenzenesulfonyl chloride

Database IDs

• CAS Number: 84911-01-3
• MDL Number: MFCD18917037

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7198677
• LogD (pH = 7.4): 2.7198677
• Log P: 2.7198677
• Molar Refractivity: 56.3576 cm^3
• Polarizability: 22.53415 Å^3
• Polar Surface Area: 43.37 Å^2