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    Technical details about CAS 5538-51-2, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 5538-51-2

    BUILDING BLOCK

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    2D Structure
    Also known as: 5538-51-2, O-acetylsalicyloyl chloride, 2-(chlorocarbonyl)phenyl acetate, Acetylsalicyloyl chloride, (2-carbonochloridoylphenyl) acetate, Benzoyl chloride, 2-(acetyloxy)-
    Molecular Formula
    C9H7ClO3
    Molecular Weight
    198.60  g/mol
    InChI Key
    DSGKWFGEUBCEIE-UHFFFAOYSA-N
    FDA UNII
    67R3L2L9J7
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2-carbonochloridoylphenyl) acetate
    2.1.2 InChI
    InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3
    2.1.3 InChI Key
    DSGKWFGEUBCEIE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)OC1=CC=CC=C1C(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    67R3L2L9J7
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5538-51-2

    2. O-acetylsalicyloyl Chloride

    3. 2-(chlorocarbonyl)phenyl Acetate

    4. Acetylsalicyloyl Chloride

    5. (2-carbonochloridoylphenyl) Acetate

    6. Benzoyl Chloride, 2-(acetyloxy)-

    7. Acetylsalicoyl Chloride

    8. 67r3l2l9j7

    9. Nsc-97216

    10. O-acetylsalicyloylchloride

    11. Aspirin Chloride

    12. O-acetylsalicylryl Chloride

    13. Einecs 226-899-1

    14. Nsc 97216

    15. Ascc

    16. Acetylsalicylic Chloride

    17. O-acetoxybenzoylchloride

    18. Acetylsalicylsaurechlorid

    19. 2-acetoxybenzoylchloride

    20. O-acetoxybenzoyl Chloride

    21. O-acetylsalicoyl Chloride

    22. Acetyl Salicyloyl Chloride

    23. Acetyl-salicyloyl Chloride

    24. 2-acetoxy Benzoyl Chloride

    25. Acetylsalicylic Acid Chloride

    26. Acetyl Salicylic Acid Chloride

    27. 2-(acetyloxy)benzoyl Chloride

    28. Schembl133699

    29. Unii-67r3l2l9j7

    30. 2-acetoxybenzoic Acid Chloride

    31. Acetyl Salicyclic Acid Chloride

    32. Acetylsalicycloyl Chloride

    33. Dtxsid10203924

    34. 2-(chlorocarbonyl)-phenyl Acetate

    35. O-acetylsalicyloyl Chloride, 95%

    36. 2-(chlorocarbonyl)phenyl Acetate #

    37. Amy15535

    38. Nsc97216

    39. Zinc1627238

    40. Mfcd00000663

    41. Akos000276274

    42. Bs-44104

    43. Db-020320

    44. Ft-0635765

    45. D88484

    46. W-105567

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 198.60 g/mol
    Molecular Formula C9H7ClO3
    XLogP32.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass198.0083718 g/mol
    Monoisotopic Mass198.0083718 g/mol
    Topological Polar Surface Area43.4 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity215
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1