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    CAS 542-18-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 542-18-7, Cyclohexyl chloride, Cyclohexane, chloro-, Monochlorocyclohexane, Chlorcyclohexan, Chlorzyklohexan
    Molecular Formula
    C6H11Cl
    Molecular Weight
    118.60  g/mol
    InChI Key
    UNFUYWDGSFDHCW-UHFFFAOYSA-N
    FDA UNII
    PNV8C821FH
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    chlorocyclohexane
    2.1.2 InChI
    InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
    2.1.3 InChI Key
    UNFUYWDGSFDHCW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CCC(CC1)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    PNV8C821FH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 542-18-7

    2. Cyclohexyl Chloride

    3. Cyclohexane, Chloro-

    4. Monochlorocyclohexane

    5. Chlorcyclohexan

    6. Chlorzyklohexan

    7. Chloro-cyclohexane

    8. Pnv8c821fh

    9. Nsc-8434

    10. Einecs 208-806-6

    11. Hsdb 2801

    12. Nsc 8434

    13. Unii-pnv8c821fh

    14. Brn 1900796

    15. Ai3-23841

    16. Chlor-cyclohexane

    17. Cyclohexylchloride

    18. Chloranylcyclohexane

    19. 2-chlorocyclohexane

    20. Chlorocyclohexane, 99%

    21. Ec 208-806-6

    22. Schembl22803

    23. 4-05-00-00048 (beilstein Handbook Reference)

    24. Chlorocyclohexane [hsdb]

    25. Cyclohexyl Chloride [mi]

    26. Dtxsid3052193

    27. Chebi:39156

    28. Nsc8434

    29. Zinc1586739

    30. Mfcd00003822

    31. Stl280356

    32. Akos005207255

    33. Am90219

    34. Ls-13160

    35. Db-021196

    36. Ft-0624210

    37. A830041

    38. J-520026

    39. Q15402014

    40. 5-bromo-4-chloro-3-indolylalpha-d-mannopyranoside

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 118.60 g/mol
    Molecular Formula C6H11Cl
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass118.0549280 g/mol
    Monoisotopic Mass118.0549280 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count7
    Formal Charge0
    Complexity46.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Absorption, Distribution and Excretion

    THEY DO NOT TEND TO ACCUMULATE IN BODY TISSUES... /ALICYCLIC HYDROCARBONS/

    Patty, F. (ed.). Industrial Hygiene and Toxicology: Volume II: Toxicology. 2nd ed. New York: Interscience Publishers, 1963., p. 1208