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    1-Chlorohexadecane

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Cetyl chloride, Hexadecyl chloride, Hexadecane, 1-chloro-, N-hexadecyl chloride, Palmityl chloride, 1-chloro-hexadecane
    Molecular Formula
    C16H33Cl
    Molecular Weight
    260.9  g/mol
    InChI Key
    CLWAXFZCVYJLLM-UHFFFAOYSA-N
    FDA UNII
    WQ5ZKS3EK3
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-chlorohexadecane
    2.1.2 InChI
    InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
    2.1.3 InChI Key
    CLWAXFZCVYJLLM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCl
    2.2 Other Identifiers
    2.2.1 UNII
    WQ5ZKS3EK3
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Cetyl Chloride

    2. Hexadecyl Chloride

    3. Hexadecane, 1-chloro-

    4. N-hexadecyl Chloride

    5. Palmityl Chloride

    6. 1-chloro-hexadecane

    7. 1-hexadecyl Chloride

    8. Wq5zks3ek3

    9. Nsc-43727

    10. Nsc-57106

    11. Chloro Hexadecane

    12. Unii-wq5zks3ek3

    13. Dsstox_cid_7580

    14. 1-chlorohexadecane, 95%

    15. Dsstox_rid_78511

    16. Nciopen2_002284

    17. Dsstox_gsid_27580

    18. Schembl437217

    19. Chembl3184566

    20. Dtxsid3027580

    21. Nsc43727

    22. Nsc57106

    23. Einecs 225-461-7

    24. Tox21_202749

    25. Mfcd00000959

    26. Nsc 57106

    27. Zinc60117143

    28. Akos009031446

    29. Cs-w012500

    30. Ncgc00260297-01

    31. Cas-4860-03-1

    32. Db-050393

    33. Ft-0623575

    34. 1-chlorohexadecane, Purum, >=97.0% (gc)

    35. A827568

    36. J-520013

    37. Q27292774

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 260.9 g/mol
    Molecular Formula C16H33Cl
    XLogP39
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count14
    Exact Mass260.2270787 g/mol
    Monoisotopic Mass260.2270787 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity123
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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