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  • NSC140832 2-bromo-1-(4-nitrophenyl)-N-piperidin-1-ylethanimine,Canonic
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    NSC140832
    [Structure]
    NSC140832 2-bromo-1-(4-nitrophenyl)-N-piperidin-1-ylethanimine,Canonic

    [ Properties Computed from Structure]
    Molecular Weight326.18904 [g/mol]
    Molecular FormulaC13H16BrN3O2
    XLogP3.7
    H-Bond Donor0
    H-Bond Acceptor4
    Rotatable Bond Count3
    Exact Mass325.042589
    MonoIsotopic Mass325.042589
    Topological Polar Surface Area58.7
    Heavy Atom Count19
    Formal Charge0
    Complexity329
    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: 2-bromo-1-(4-nitrophenyl)-N-piperidin-1-ylethanimine
    Canonical SMILES: C1CCN(CC1)N=C(CBr)C2=CC=C(C=C2)[N+](=O)[O-]
    InChI: InChI=1/C13H16BrN3O2/c14-10-13(15-16-8-2-1-3-9-16)11-4-6-12(7-5-11)17
    (18)19/h4-7H,1-3,8-10H2

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