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  • [[amino-(4-chlorophenyl)methylidene]amino] 2,6-dimethoxybenzoate,Cano
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight334.7543 [g/mol]
    Molecular FormulaC16H15ClN2O4
    XLogP4.1
    H-Bond Donor1
    H-Bond Acceptor6
    Rotatable Bond Count6
    Tautomer Count2
    Exact Mass334.072035
    MonoIsotopic Mass334.072035
    Topological Polar Surface Area83.1
    Heavy Atom Count23
    Formal Charge0
    Complexity412
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count1
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: [[amino-(4-chlorophenyl)methylidene]amino] 2,6-dimethoxybenzoate
    Canonical SMILES: COC1=C(C(=CC=C1)OC)C(=O)ON=C(C2=CC=C(C=C2)Cl)N
    InChI: InChI=1/C16H15ClN2O4/c1-21-12-4-3-5-13(22-2)14(12)16(20)23-19-15(18)10-
    6-8-11(17)9-7-10/h3-9H,1-2H3,(H2,18,19)/f/h18H2

    ChemDrug版权识别码:0257345120258858366
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