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    Acetoxyacetyl Chloride

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 310Xls

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    2D Structure
    Also known as: 13831-31-7, 2-chloro-2-oxoethyl acetate, 2-acetoxyacetyl chloride, Acetoxyacetylchloride, Acetyl chloride, (acetyloxy)-, (2-chloro-2-oxoethyl) acetate
    Molecular Formula
    C4H5ClO3
    Molecular Weight
    136.53  g/mol
    InChI Key
    HZDNNJABYXNPPV-UHFFFAOYSA-N
    FDA UNII
    Z4S19Y2F8S
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2-chloro-2-oxoethyl) acetate
    2.1.2 InChI
    InChI=1S/C4H5ClO3/c1-3(6)8-2-4(5)7/h2H2,1H3
    2.1.3 InChI Key
    HZDNNJABYXNPPV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)OCC(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    Z4S19Y2F8S
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 13831-31-7

    2. 2-chloro-2-oxoethyl Acetate

    3. 2-acetoxyacetyl Chloride

    4. Acetoxyacetylchloride

    5. Acetyl Chloride, (acetyloxy)-

    6. (2-chloro-2-oxoethyl) Acetate

    7. Acetoxyacetic Acid Chloride

    8. Z4s19y2f8s

    9. Acetyl Chloride, 2-(acetyloxy)-

    10. Unii-z4s19y2f8s

    11. (chlorocarbonyl)methyl Acetate

    12. Einecs 237-542-4

    13. Acetoxy Acetylchloride

    14. Acetoxy Acetyl Chloride

    15. Acetyloxyacetyl Chloride

    16. (acetyloxy)acetyl Chloride

    17. Chloro-2-oxoethyl Acetate

    18. Schembl5288

    19. Alpha-acetoxy Acetyl Chloride

    20. Acetoxyacetyl Chloride, 97%

    21. (2-chloro-2-oxo-ethyl)acetate

    22. Dtxsid20160579

    23. Glycoloyl Chloride, Acetate

    24. Albb-013561

    25. Amy39424

    26. Bcp32585

    27. Str08793

    28. Zinc2019437

    29. Mfcd00011535

    30. Acetic Acid Chlorocarbonylmethyl Ester

    31. Acetic Acid Chlorocarbonyl-methyl Ester

    32. Akos000121009

    33. Acetic Acid (2-chloro-2-oxoethyl) Ester

    34. Db-042424

    35. Bb 0261504

    36. Cs-0017872

    37. Ft-0621815

    38. (2-chloranyl-2-oxidanylidene-ethyl) Ethanoate

    39. S12356

    40. A807373

    41. J-007117

    42. J-519534

    43. Q27294994

    44. F0001-0475

    45. 2-chloro-2-oxoethyl Acetate;2-acetoxyacetyl Chloride;acetoxyacetylchloride

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 136.53 g/mol
    Molecular Formula C4H5ClO3
    XLogP30.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass135.9927217 g/mol
    Monoisotopic Mass135.9927217 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity110
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1