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    Pelargonic Acid Chloride

    PharmaCompass
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    2D Structure
    Also known as: 764-85-2, Nonanoylchloride, Nonanoic acid chloride, Pelargonoyl chloride, Pelargonyl chloride, N-nonanoyl chloride
    Molecular Formula
    C9H17ClO
    Molecular Weight
    176.68  g/mol
    InChI Key
    NTQYXUJLILNTFH-UHFFFAOYSA-N
    FDA UNII
    0V0DUM0390
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    nonanoyl chloride
    2.1.2 InChI
    InChI=1S/C9H17ClO/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3
    2.1.3 InChI Key
    NTQYXUJLILNTFH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC(=O)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    0V0DUM0390
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 764-85-2

    2. Nonanoylchloride

    3. Nonanoic Acid Chloride

    4. Pelargonoyl Chloride

    5. Pelargonyl Chloride

    6. N-nonanoyl Chloride

    7. Pelargonic Acid Chloride

    8. 0v0dum0390

    9. Nsc-9829

    10. Mfcd00000768

    11. Nananoyl Chloride

    12. Nsc 9829

    13. Einecs 212-131-2

    14. Nonanic Acid Chloride

    15. Nonanoyl Chloride, 96%

    16. Schembl378269

    17. Unii-0v0dum0390

    18. Chembl3189014

    19. Dtxsid3042215

    20. Nsc9829

    21. Zinc1700207

    22. Tox21_202869

    23. Akos009031353

    24. Ncgc00260415-01

    25. Cas-764-85-2

    26. Ls-13691

    27. Db-056068

    28. Ft-0632906

    29. N0372

    30. N0813

    31. D91690

    32. A838721

    33. Q27894139

    34. F1905-6978

    35. Nonanoyl Chloride, Pelargonyl Chloride, Pelargonic Acid Chloride

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 176.68 g/mol
    Molecular Formula C9H17ClO
    XLogP34.5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area17.1
    Heavy Atom Count11
    Formal Charge0
    Complexity102
    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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