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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: Methyl 4-acetamido-5-iodo-2-methoxybenzoate, 201214-53-1, Benzoic acid, 4-(acetylamino)-5-iodo-2-methoxy-, methyl ester, Ec 606-440-5, N-(2-ethynyl-4-formyl-5-methoxyphenyl)acrylamide, C11h12ino4
    Molecular Formula
    C11H12INO4
    Molecular Weight
    349.12  g/mol
    InChI Key
    HBIIHFLPYDIZCG-UHFFFAOYSA-N
    CAS 201214-53-1
    1 2D Structure

    CAS 201214-53-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-acetamido-5-iodo-2-methoxybenzoate
    2.1.2 InChI
    InChI=1S/C11H12INO4/c1-6(14)13-9-5-10(16-2)7(4-8(9)12)11(15)17-3/h4-5H,1-3H3,(H,13,14)
    2.1.3 InChI Key
    HBIIHFLPYDIZCG-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Methyl 4-acetamido-5-iodo-2-methoxybenzoate

    2. 201214-53-1

    3. Benzoic Acid, 4-(acetylamino)-5-iodo-2-methoxy-, Methyl Ester

    4. Ec 606-440-5

    5. N-(2-ethynyl-4-formyl-5-methoxyphenyl)acrylamide

    6. C11h12ino4

    7. Schembl18239875

    8. Dtxsid101240757

    9. Bia21453

    10. Akos022188139

    11. Ds-8883

    12. Sb83277

    13. Ac-31681

    14. Db-130130

    15. Methyl4-acetamido-5-iodo-2-methoxybenzoate

    16. Ns00002138

    17. W16912

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 349.12 g/mol
    Molecular Formula C11H12INO4
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area64.6
    Heavy Atom Count17
    Formal Charge0
    Complexity297
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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