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            当前地位: 澳门葡京官网 » 材料 » 化学物质数据库 » (2S)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-2,3-dihydro-1,,4

            (2S)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-2,3-dihydro-1,,4

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            新萄京娱乐场老牌网址: (2S)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-2,3-dihydro-1,,4-benzodioxine-2-carboxamide,Canonical SMILES: C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(C=C3)C(F)(F)F,Isomeric SMILES: C1[C@H](OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(C=C3)C(F)(F)F,InChI: InChI=
            [Synonyms]

            [Structure]
             (2S)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-2,3-dihydro-1,,4

            [ Properties Computed from Structure]
            Molecular Weight350.29193 [g/mol]
            Molecular FormulaC17H13F3N2O3
            XLogP4.4
            H-Bond Donor1
            H-Bond Acceptor7
            Rotatable Bond Count3
            Tautomer Count2
            Exact Mass350.087827
            MonoIsotopic Mass350.087827
            Topological Polar Surface Area59.9
            Heavy Atom Count25
            Formal Charge0
            Complexity490
            Isotope Atom Count0
            Defined Atom StereoCenter Count1
            Undefined Atom StereoCenter Count0
            Defined Bond StereoCenter Count0
            Undefined Bond StereoCenter Count1
            Covalently-Bonded Unit Count1

            [ Descriptors Computed from Structure]
            IUPAC Name: (2S)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]-2,3-dihydro-1,
            4-benzodioxine-2-carboxamide
            Canonical SMILES: C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(C=C3)C(F)(F)F
            Isomeric SMILES: C1[C@H](OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(C=C3)C(F)(F)F
            InChI: InChI=1/C17H13F3N2O3/c18-17(19,
            20)12-7-5-11(6-8-12)9-21-22-16(23)15-10-24-13-3-1-2-4-14(13)25-15/h1-9,
            15H,10H2,(H,22,23)/t15-/m0/s1/f/h22H

             
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