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  • NSC110558 (2,5-dichloro-4-methylsulfonyloxyphenyl) methanesulfonate,Ca
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC110558
    [Structure]
    NSC110558 (2,5-dichloro-4-methylsulfonyloxyphenyl) methanesulfonate,Ca

    [ Properties Computed from Structure]
    Molecular Weight335.18152 [g/mol]
    Molecular FormulaC8H8Cl2O6S2
    XLogP2.3
    H-Bond Donor0
    H-Bond Acceptor6
    Rotatable Bond Count4
    Exact Mass333.913935
    MonoIsotopic Mass333.913935
    Topological Polar Surface Area86.7
    Heavy Atom Count18
    Formal Charge0
    Complexity431
    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: (2,5-dichloro-4-methylsulfonyloxyphenyl) methanesulfonate
    Canonical SMILES: CS(=O)(=O)OC1=CC(=C(C=C1Cl)OS(=O)(=O)C)Cl
    InChI: InChI=1/C8H8Cl2O6S2/c1-17(11,12)15-7-3-6(10)8(4-5(7)9)16-18(2,
    13)14/h3-4H,1-2H3

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