2-(4-methylphenoxy)ethane-1-sulfonyl chloride

• ChemBase ID: 309450
• Molecular Formular: C9H11ClO3S
• Molecular Mass: 234.69984
• Monoisotopic Mass: 234.01174289
• SMILES: S(=O)(=O)(CCOc1ccc(cc1)C)Cl
• Canonical SMILES: Cc1ccc(cc1)OCCS(=O)(=O)Cl
• InChI: InChI=1S/C9H11ClO3S/c1-8-2-4-9(5-3-8)13-6-7-14(10,11)12/h2-5H,6-7H2,1H3
• InChIKey: LPFWKKSPCKBGON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylphenoxy)ethane-1-sulfonyl chloride
• IUPAC Traditional name: 2-(4-methylphenoxy)ethanesulfonyl chloride
• Synonyms: 2-(4-methylphenoxy)ethanesulfonyl chloride

Database IDs

• CAS Number: 3383-76-4
• MDL Number: MFCD10022930

CALCULATED PROPERTIES

• H Donor: 0
• LogD (pH = 5.5): 2.114683
• LogD (pH = 7.4): 2.114683
• Log P: 2.114683
• Molar Refractivity: 55.8204 cm^3
• Polarizability: 22.575787 Å^3
• Polar Surface Area: 43.37 Å^2
• H Acceptors: 3