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    Technical details about CAS 32807-28-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 32807-28-6

    Manufacturers/Suppliers

    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 32807-28-6, Methyl 4-chloro-3-oxobutanoate, Methyl 4-chloro-3-oxo-butanoate, Butanoic acid, 4-chloro-3-oxo-, methyl ester, Methyl 4-chloro-3-oxobutyrate, 4-chloroacetoacetic acid methyl ester
    Molecular Formula
    C5H7ClO3
    Molecular Weight
    150.56  g/mol
    InChI Key
    HFLMYYLFSNEOOT-UHFFFAOYSA-N
    FDA UNII
    FVC6V863Y2
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-chloro-3-oxobutanoate
    2.1.2 InChI
    InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3
    2.1.3 InChI Key
    HFLMYYLFSNEOOT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)CC(=O)CCl
    2.2 Other Identifiers
    2.2.1 UNII
    FVC6V863Y2
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 32807-28-6

    2. Methyl 4-chloro-3-oxobutanoate

    3. Methyl 4-chloro-3-oxo-butanoate

    4. Butanoic Acid, 4-chloro-3-oxo-, Methyl Ester

    5. Methyl 4-chloro-3-oxobutyrate

    6. 4-chloroacetoacetic Acid Methyl Ester

    7. Methyl-4-chloroacetoacetate

    8. Mfcd00000938

    9. Acetoacetic Acid, 4-chloro-, Methyl Ester

    10. Fvc6v863y2

    11. 4-chloro-3-oxobutanoic Acid Methyl Ester

    12. Methyl Gamma-chloroacetoacetate

    13. Einecs 251-230-5

    14. Brn 1759939

    15. Methyl Chloroacetoacetate

    16. Methyl 4-chloroacetoaceate

    17. Methyl 4-chloro-acetoacetate

    18. Unii-fvc6v863y2

    19. Schembl56154

    20. 3-03-00-01207 (beilstein Handbook Reference)

    21. Methyl-gamma-chloroacetoacetate

    22. Chembl173804

    23. Dtxsid0067719

    24. Methyl 4-chloro-3-oxo-butyrate

    25. Methyl .gamma.-chloroacetoacetate

    26. Methyl .omega.-chloroacetoacetate

    27. Methyl 4-chloro-3-oxobutanoate #

    28. Methyl 4-chloroacetoacetate, 97%

    29. Bcp19731

    30. Str04472

    31. Akos000119618

    32. 4-chloro Aceto Acetic Acid Methyl Ester

    33. (r)-2-hydroxymethyl-pentanoicacid

    34. 4-chloro-3-oxo-butyric Acid Methyl Ester

    35. 4-chloro-3-oxobutanoic Acid, Methyl Ester

    36. 4-chloro-3-oxobutanoic Acid. Methyl Ester

    37. .gamma.-chloroacetoacetic Acid, Methyl Ester

    38. Cs-0044248

    39. Ft-0618156

    40. Methyl 4-chloranyl-3-oxidanylidene-butanoate

    41. En300-19679

    42. S12341

    43. A821427

    44. W-106820

    45. F0001-0971

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 150.56 g/mol
    Molecular Formula C5H7ClO3
    XLogP30.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area43.4
    Heavy Atom Count9
    Formal Charge0
    Complexity121
    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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