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  • ZINC00334320,N-(p-Chloroacetylphenyl)methanesulfonamide,Methanesulfona
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    ZINC00334320
    N-(p-Chloroacetylphenyl)methanesulfonamide
    Methanesulfonamide, N-(4-(chloroacetyl)phenyl)-
    AI-942/25034667
    64488-52-4

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight247.6986 [g/mol]
    Molecular FormulaC9H10ClNO3S
    XLogP1.3
    H-Bond Donor1
    H-Bond Acceptor4
    Rotatable Bond Count4
    Tautomer Count7
    Exact Mass247.006992
    MonoIsotopic Mass247.006992
    Topological Polar Surface Area63.2
    Heavy Atom Count15
    Formal Charge0
    Complexity315
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: N-[4-(2-chloroacetyl)phenyl]methanesulfonamide
    Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C(=O)CCl
    InChI: InChI=1/C9H10ClNO3S/c1-15(13,14)11-8-4-2-7(3-5-8)9(12)6-10/h2-5,11H,6H2,
    1H3

    ChemDrug版权识别码:23246346031141140280
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