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    Technical details about CAS 112-29-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS-112-29-8

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    PharmaCompass

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    2D Structure
    1. Also known as: Decyl bromide, 112-29-8, N-decyl bromide, Decane, 1-bromo-, 1-decyl bromide, Decane, bromo-
    Molecular Formula
    C10H21Br
    Molecular Weight
    221.18  g/mol
    InChI Key
    MYMSJFSOOQERIO-UHFFFAOYSA-N
    FDA UNII
    Y2JDF9ZCB6
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromodecane
    2.1.2 InChI
    InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
    2.1.3 InChI Key
    MYMSJFSOOQERIO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCBr
    2.2 Other Identifiers
    2.2.1 UNII
    Y2JDF9ZCB6
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Decyl Bromide

    2.3.2 Depositor-Supplied Synonyms

    1. Decyl Bromide

    2. 112-29-8

    3. N-decyl Bromide

    4. Decane, 1-bromo-

    5. 1-decyl Bromide

    6. Decane, Bromo-

    7. 1-bromo-decane

    8. Decylbromide

    9. Y2jdf9zcb6

    10. Nsc-8780

    11. Bromodecane

    12. Nsc 8780

    13. Einecs 203-955-3

    14. Decylmonobromide

    15. N-decylbromide

    16. Ai3-28586

    17. Decyl Monobromide

    18. 1-bromo-n-decane

    19. Mfcd00000221

    20. 1-bromodecane, 98%

    21. Unii-y2jdf9zcb6

    22. Ec 203-955-3

    23. Dsstox_cid_30133

    24. Dsstox_gsid_51581

    25. Schembl33325

    26. Chembl3559832

    27. Dtxsid9051581

    28. Nsc8780

    29. Bcp28226

    30. Zinc1648226

    31. Tox21_303974

    32. Bbl011376

    33. Stl146474

    34. Akos005720976

    35. Ncgc00357198-01

    36. Cas-112-29-8

    37. Vs-02933

    38. 1-bromodecane, Purum, >=97.0% (gc)

    39. B0583

    40. Ft-0607525

    41. Q-200114

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 221.18 g/mol
    Molecular Formula C10H21Br
    XLogP36
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count8
    Exact Mass220.08266 g/mol
    Monoisotopic Mass220.08266 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity61.9
    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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