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    Also known as: 70736-27-5, Methyl (z)-2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate, Methyl (2z)-2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate, Methyl chloro[(4-methoxyphenyl)hydrazono]acetate, Acetic acid, chloro[(4-methoxyphenyl)hydrazono]-, methyl ester, Schembl17773469
    Molecular Formula
    C10H11ClN2O3
    Molecular Weight
    242.66  g/mol
    InChI Key
    IPYYPYTUZHFTKC-LCYFTJDESA-N
    CAS 70736-27-5
    1 2D Structure

    CAS 70736-27-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2Z)-2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate
    2.1.2 InChI
    InChI=1S/C10H11ClN2O3/c1-15-8-5-3-7(4-6-8)12-13-9(11)10(14)16-2/h3-6,12H,1-2H3/b13-9-
    2.1.3 InChI Key
    IPYYPYTUZHFTKC-LCYFTJDESA-N
    2.1.4 Canonical SMILES
    COC1=CC=C(C=C1)NN=C(C(=O)OC)Cl
    2.1.5 Isomeric SMILES
    COC1=CC=C(C=C1)N/N=C(/C(=O)OC)\Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 70736-27-5

    2. Methyl (z)-2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate

    3. Methyl (2z)-2-chloro-2-[(4-methoxyphenyl)hydrazinylidene]acetate

    4. Methyl Chloro[(4-methoxyphenyl)hydrazono]acetate

    5. Acetic Acid, Chloro[(4-methoxyphenyl)hydrazono]-, Methyl Ester

    6. Schembl17773469

    7. Schembl18660293

    8. Albb-032221

    9. Cs-m3608

    10. Mfcd02852963

    11. Akos037629352

    12. As-71462

    13. Methyl(z)-2-chloro-2-(2-(4-methoxyphenyl)hydrazono)acetate

    14. Methyl (2z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate

    2.3 Create Date
    2006-10-24
    3 Chemical and Physical Properties
    Molecular Weight 242.66 g/mol
    Molecular Formula C10H11ClN2O3
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count5
    Exact Mass242.0458199 g/mol
    Monoisotopic Mass242.0458199 g/mol
    Topological Polar Surface Area59.9 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity263
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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