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    CAS 2719-27-9

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2719-27-9, Hexahydrobenzoyl chloride, Cyclohexanecarboxylic acid chloride, Chlorocarbonylcyclohexane, Cyclohexanoyl chloride, Cyclohexylcarbonyl chloride
    Molecular Formula
    C7H11ClO
    Molecular Weight
    146.61  g/mol
    InChI Key
    RVOJTCZRIKWHDX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    cyclohexanecarbonyl chloride
    2.1.2 InChI
    InChI=1S/C7H11ClO/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2
    2.1.3 InChI Key
    RVOJTCZRIKWHDX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)C(=O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2719-27-9

    2. Hexahydrobenzoyl Chloride

    3. Cyclohexanecarboxylic Acid Chloride

    4. Chlorocarbonylcyclohexane

    5. Cyclohexanoyl Chloride

    6. Cyclohexylcarbonyl Chloride

    7. Cyclohexanecarbonylchloride

    8. Mfcd00001456

    9. (chlorocarbonyl)cyclohexane

    10. Cyclohexanecarboxylic Acid Chloride; Cyclohexanoic Acid Chloride; Cyclohexanoyl Chloride; Cyclohexylcarbonyl Chloride; Hexahydrobenzoyl Chloride; Nsc 85181

    11. Cyclohexane Carbonyl Chloride

    12. Cyclohexylcarboxylic Acid Chloride

    13. Cyclohexoyl Chloride

    14. Einecs 220-322-7

    15. Nsc 85181

    16. Cyclohexancarbonylchlorid

    17. Hexahydrobenzoyl-chloride

    18. Cyclohexancarbonyl Chloride

    19. Cyclohexanoic Acid Chloride

    20. Cyclohexyl Carbonyl Chloride

    21. Ec 220-322-7

    22. Cyclohexylcarboxylic Chloride

    23. Schembl1420

    24. 1-cyclohexanecarbonyl Chloride

    25. Dtxsid8062608

    26. Cyclohexancarboxylic Acid Chloride

    27. Cyclohexanecarbonyl Chloride, 98%

    28. Bcp24458

    29. Cyclohexane Carboxylic Acid Chloride

    30. Nsc85181

    31. Str00564

    32. Zinc1752310

    33. Ccg-40557

    34. Nsc-85181

    35. 3-cyclohexane Carboxylic Acid Chloride

    36. Akos000268645

    37. Db-047178

    38. Ft-0624181

    39. A818949

    40. W-107125

    41. F2190-0021

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 146.61 g/mol
    Molecular Formula C7H11ClO
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count1
    Exact Mass146.0498427 g/mol
    Monoisotopic Mass146.0498427 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity106
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1