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  • STK034445,ZINC00341487,BAS 00333481,3-(4-Chloro-phenyl)-5-p-tolyl-[1,2
  • 发布时间:2004-10-25 来源:本站整理
  • [Synonyms]
    STK034445
    ZINC00341487
    BAS 00333481
    3-(4-Chloro-phenyl)-5-p-tolyl-[1,2,4]oxadiazole

    [Structure]
    STK034445,ZINC00341487,BAS 00333481,3-(4-Chloro-phenyl)-5-p-tolyl-[1,2

    [ Properties Computed from Structure]
    Molecular Weight270.71364 [g/mol]
    Molecular FormulaC15H11ClN2O
    XLogP5.2
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count2
    Exact Mass270.055991
    MonoIsotopic Mass270.055991
    Topological Polar Surface Area38.9
    Heavy Atom Count19
    Formal Charge0
    Complexity286
    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: 3-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
    Canonical SMILES: CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl
    InChI: InChI=1/C15H11ClN2O/c1-10-2-4-12(5-3-10)15-17-14(18-19-15)11-6-8-13(16)
    9-7-11/h2-9H,1H3

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