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  • NSC358375 2-(4-bromophenoxy)-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide,
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC358375
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight347.16344 [g/mol]
    Molecular FormulaC15H11BrN2O3
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count2
    Exact Mass345.995305
    MonoIsotopic Mass345.995305
    Topological Polar Surface Area55.6
    Heavy Atom Count21
    Formal Charge0
    Complexity446
    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-(4-bromophenoxy)-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
    Canonical SMILES: CC1=C([N+](=O)C2=CC=CC=C2N1[O-])OC3=CC=C(C=C3)Br
    InChI: InChI=1/C15H11BrN2O3/c1-10-15(21-12-8-6-11(16)7-9-12)18(20)14-5-3-2-4-13
    (14)17(10)19/h2-9H,1H3

    ChemDrug版权识别码:01776745173050671052137
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