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    CAS 1575-61-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1575-61-7, 5-chloropentanoyl chloride, Pentanoyl chloride, 5-chloro-, 5-chlorovaleroyl chloride, Valeryl chloride, 5-chloro-, 5-chlorovalerylchloride
    Molecular Formula
    C5H8Cl2O
    Molecular Weight
    155.02  g/mol
    InChI Key
    SVNNWKWHLOJLOK-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloropentanoyl chloride
    2.1.2 InChI
    InChI=1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2
    2.1.3 InChI Key
    SVNNWKWHLOJLOK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCCl)CC(=O)Cl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 5-cvc Cpd

    2.2.2 Depositor-Supplied Synonyms

    1. 1575-61-7

    2. 5-chloropentanoyl Chloride

    3. Pentanoyl Chloride, 5-chloro-

    4. 5-chlorovaleroyl Chloride

    5. Valeryl Chloride, 5-chloro-

    6. 5-chlorovalerylchloride

    7. 5-chloro-pentanoyl Chloride

    8. Einecs 216-403-1

    9. Nsc 84182

    10. Brn 1745182

    11. Delta-chlorovaleroyl Chloride

    12. Mfcd00000758

    13. Chlorovaleryl Chloride

    14. 5-chlorovaleroylchloride

    15. D-chlorovaleroyl Chloride

    16. 5-chloro-pentanoylchloride

    17. 5-chloro-valeroyl Chloride

    18. Wln: Gv4g

    19. Delta-chlorovaleryl Chloride

    20. Ec 216-403-1

    21. Schembl77065

    22. 5-chlorovaleric Acid Chloride

    23. 4-02-00-00881 (beilstein Handbook Reference)

    24. 2-chloroethylpropionyl Chloride

    25. Delta-chlorovaleric Acid Chloride

    26. 5-chloro-pentanoic Acid Chloride

    27. 5-chlorovaleroyl Chloride, 96%

    28. Dtxsid60166272

    29. Amy12305

    30. Nsc84182

    31. Zinc1736654

    32. Nsc-84182

    33. Akos009156765

    34. Db-043354

    35. C1789

    36. Cs-0015913

    37. Ft-0620345

    38. En300-36082

    39. D89459

    40. 5-chlorovaleroyl Chloride, Purum, >=97.0% (t)

    41. 575c617

    42. A809852

    43. W-108002

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 155.02 g/mol
    Molecular Formula C5H8Cl2O
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count4
    Exact Mass153.9952203 g/mol
    Monoisotopic Mass153.9952203 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity72.8
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1