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    CAS 4635-59-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4635-59-0, 4-chlorobutanoyl chloride, Butanoyl chloride, 4-chloro-, 4-chlorobutyroyl chloride, 4-chlorobutanoic acid chloride, 4-chlorobutyric acid chloride
    Molecular Formula
    C4H6Cl2O
    Molecular Weight
    140.99  g/mol
    InChI Key
    CDIIZULDSLKBKV-UHFFFAOYSA-N
    FDA UNII
    3663U0VKRI
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-chlorobutanoyl chloride
    2.1.2 InChI
    InChI=1S/C4H6Cl2O/c5-3-1-2-4(6)7/h1-3H2
    2.1.3 InChI Key
    CDIIZULDSLKBKV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CC(=O)Cl)CCl
    2.2 Other Identifiers
    2.2.1 UNII
    3663U0VKRI
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4635-59-0

    2. 4-chlorobutanoyl Chloride

    3. Butanoyl Chloride, 4-chloro-

    4. 4-chlorobutyroyl Chloride

    5. 4-chlorobutanoic Acid Chloride

    6. 4-chlorobutyric Acid Chloride

    7. Butyryl Chloride, 4-chloro-

    8. Gamma-chlorobutyryl Chloride

    9. 4-chloro-butyryl Chloride

    10. Butanoyl Chloride, Chloro-

    11. 4-chloro Butyryl Chloride

    12. .gamma.-chlorobutyryl Chloride

    13. 3663u0vkri

    14. 4-chlorobutyrylchloride

    15. Gamma-chlorobutyroyl Chloride

    16. Hsdb 7299

    17. Einecs 225-059-1

    18. Unii-3663u0vkri

    19. Chlorobutyrylchloride

    20. Chlorobutyryl Chloride

    21. Chlorobutanoyl Chloride

    22. 4-chlorobutyl Chloride

    23. 4-chlorobutryl Chloride

    24. 4-chlorobutyryl Choride

    25. 4-chlorobutanoylchloride

    26. 4-chlorobutyric Chloride

    27. Ec 225-059-1

    28. 4-chlorobutanoyl Chloride #

    29. Schembl72850

    30. 4-chlorobutyryl Chloride, 99%

    31. Dtxsid6052114

    32. Gamma-chlorobutyric Acid Chloride

    33. Cdiizuldslkbkv-uhfffaoysa-

    34. .gamma.-chloro-n-butyryl Chloride

    35. Amy25684

    36. Zinc2242611

    37. Bbl011409

    38. Mfcd00000754

    39. Stl146515

    40. .omega.-chlorobutyryl Chloride

    41. Akos000119223

    42. .gamma.-chlorobutyroyl Chloride

    43. .omega.-chlorobutanoyl Chloride

    44. Bp-30169

    45. Vs-02941

    46. C0824

    47. Ft-0618206

    48. .gamma.-chlorobutyryl Chloride [hsdb]

    49. 4-chlorobutyryl Chloride, Technical Grade, 95%

    50. Q27256529

    51. F2190-0035

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 140.99 g/mol
    Molecular Formula C4H6Cl2O
    XLogP31.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass139.9795702 g/mol
    Monoisotopic Mass139.9795702 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity62.7
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1