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    Technical details about CAS-4093-31-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-4093-31-6

    Manufacturers/Suppliers

    PharmaCompass

    Veranova: A CDMO that manages complexity with confidence.

    Axplora- The partner of choice for complex APIs.

    2D Structure
    1. Also known as: 4093-31-6, Methyl 4-acetamido-5-chloro-o-anisate, Benzoic acid, 4-(acetylamino)-5-chloro-2-methoxy-, methyl ester, Mfcd00048191, Methyl 4-(acetylamino)-5-chloro-2-methoxybenzoate, 3d7z5o4uxa
    Molecular Formula
    C11H12ClNO4
    Molecular Weight
    257.67  g/mol
    InChI Key
    OUEXNQRVYGYGIK-UHFFFAOYSA-N
    FDA UNII
    3D7Z5O4UXA
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-acetamido-5-chloro-2-methoxybenzoate
    2.1.2 InChI
    InChI=1S/C11H12ClNO4/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
    OUEXNQRVYGYGIK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    3D7Z5O4UXA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4093-31-6

    2. Methyl 4-acetamido-5-chloro-o-anisate

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

    4. Mfcd00048191

    5. Methyl 4-(acetylamino)-5-chloro-2-methoxybenzoate

    6. 3d7z5o4uxa

    7. Dtxsid6057740

    8. Methyl 2-methoxy-4-acetamido-5-chlorobenzoate

    9. Methyl 2-methoxy-4-acetylamino-5-chlorobenzoate

    10. Methyl 4-acetylamino-5-chloro-2-methoxybenzoate

    11. 4-acetamido-5-chloro-2-methoxybenzoic Acid Methyl Ester

    12. Unii-3d7z5o4uxa

    13. Einecs 223-840-1

    14. Methyl 5-chloro-4-acetamido-2-methoxybenzoate

    15. Ec 223-840-1

    16. Oprea1_093629

    17. Schembl130152

    18. Chembl3561753

    19. Dtxcid3031529

    20. Bcp30994

    21. Tox21_113842

    22. Ac7971

    23. Akos002952816

    24. Ncgc00253723-01

    25. Ac-14848

    26. As-12356

    27. Sy034797

    28. Cas-4093-31-6

    29. Db-049684

    30. Cs-0128349

    31. Ft-0617372

    32. Methyl4-acetamido-5-chloro-2-methoxybenzoate

    33. Methyl-4-acetamido-5-chloro-2-methoxybenzoate

    34. Methyl 4-acetamido-5-chloro-2-methoxy-benzoate

    35. Metoclopramide Impurity B [ep Impurity]

    36. Sr-01000944779

    37. Sr-01000944779-1

    38. W-106329

    39. Methyl 4-acetamido-5-chloro-2-methoxybenzoate, 99%

    40. Q27257067

    41. Methyl 4-(acetylamino)-5-chloro-2-(methyloxy)benzoate

    42. Methyl-4-acetylamino-5-chloro-2-methoxybenzoate

    43. 4-acetylamino-5-chloro-2-methoxy-benzoic Acid Methyl Ester

    44. 2-methoxy-4-(acetylamino)-5-chlorobenzoic Acid Methyl Ester

    45. 4-(n-acetylamino)-5-chloro-2-methoxybenzoic Acid, Methyl Ester

    2.4 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 257.67 g/mol
    Molecular Formula C11H12ClNO4
    XLogP31.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    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
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