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    EN300-19952

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 772Xls

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    2D Structure
    Also known as: Dodecanoyl chloride, 112-16-3, N-dodecanoyl chloride, Lauroylchloride, Lauric acid chloride, Dodecanoic acid, chloride
    Molecular Formula
    C12H23ClO
    Molecular Weight
    218.76  g/mol
    InChI Key
    NQGIJDNPUZEBRU-UHFFFAOYSA-N
    FDA UNII
    9LHL10777I
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dodecanoyl chloride
    2.1.2 InChI
    InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3
    2.1.3 InChI Key
    NQGIJDNPUZEBRU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCC(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    9LHL10777I
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Dodecanoyl Chloride

    2. 112-16-3

    3. N-dodecanoyl Chloride

    4. Lauroylchloride

    5. Lauric Acid Chloride

    6. Dodecanoic Acid, Chloride

    7. 9lhl10777i

    8. Mfcd00000740

    9. Unii-9lhl10777i

    10. Dodecanoylchloride

    11. Hsdb 5567

    12. Einecs 203-941-7

    13. Lauric Acid, Chloride

    14. Ai3-52409

    15. Lauroyl Chloride, 98%

    16. Ec 203-941-7

    17. Schembl160647

    18. Ch3(ch2)10c(o)cl

    19. Dodecanoic Acid,chloride

    20. Chembl3561663

    21. Dtxsid5044368

    22. Dodecanoyl Chloride [hsdb]

    23. Str10231

    24. Zinc2041056

    25. Tox21_303812

    26. Akos009031493

    27. Db14670

    28. Ncgc00357016-01

    29. Cas-112-16-3

    30. Db-041047

    31. D0972

    32. Ft-0627725

    33. Dodecanoyl Chloride, Purum, >=97.5% (gc)

    34. En300-19952

    35. 1,3-dimethyl-1-methylazo-urea;lauroyl Chloride

    36. A802503

    37. W-108656

    38. Q27272707

    2.3.2 Other Synonyms

    1. N-dodecanoyl Chloride

    2. Lauric Acid Chloride

    3. Laurel Acetyl Chlorine

    4. Dodecanoyl Chloride

    5. Lauroylchloride

    6. Cas 112-16-3

    7. Dodecanoic Acid, Chloride

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 218.76 g/mol
    Molecular Formula C12H23ClO
    XLogP35.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count10
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area17.1
    Heavy Atom Count14
    Formal Charge0
    Complexity134
    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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