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  • 4-Nitro-N-(o-tolyl)benzamide,Oprea1_490557,Benzamide, 4-nitro-N-(o-tol
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    4-Nitro-N-(o-tolyl)benzamide
    Oprea1_490557
    Benzamide, 4-nitro-N-(o-tolyl)-
    Benzamide, N-(2-methylphenyl)-4-nitro-
    NSC 159384
    BRN 2744649
    NSC159384
    ZINC00261088
    LS-27310
    NCI60_001173

    [Structure]
    4-Nitro-N-(o-tolyl)benzamide,Oprea1_490557,Benzamide, 4-nitro-N-(o-tol

    [ Properties Computed from Structure]
    Molecular Weight256.25668 [g/mol]
    Molecular FormulaC14H12N2O3
    XLogP3.1
    H-Bond Donor1
    H-Bond Acceptor3
    Rotatable Bond Count2
    Tautomer Count2
    Exact Mass256.084792
    MonoIsotopic Mass256.084792
    Topological Polar Surface Area72.2
    Heavy Atom Count19
    Formal Charge0
    Complexity332
    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: N-(2-methylphenyl)-4-nitrobenzamide
    Canonical SMILES: CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
    InChI: InChI=1/C14H12N2O3/c1-10-4-2-3-5-13(10)15-14(17)11-6-8-12(9-7-11)16(18)
    19/h2-9H,1H3,(H,15,17)/f/h15H

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