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    CAS 4286-55-9

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    CAS 4286-55-9
    Also known as: 4286-55-9, 6-bromohexan-1-ol, 6-bromohexanol, 1-hexanol, 6-bromo-, Hexamethylene bromohydrin, 6-bromo-hexan-1-ol
    Molecular Formula
    C6H13BrO
    Molecular Weight
    181.07  g/mol
    InChI Key
    FCMCSZXRVWDVAW-UHFFFAOYSA-N
    FDA UNII
    3U3A1ZLY0T
    1 2D Structure

    CAS 4286-55-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-bromohexan-1-ol
    2.1.2 InChI
    InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2
    2.1.3 InChI Key
    FCMCSZXRVWDVAW-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CCCBr)CCO
    2.2 Other Identifiers
    2.2.1 UNII
    3U3A1ZLY0T
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4286-55-9

    2. 6-bromohexan-1-ol

    3. 6-bromohexanol

    4. 1-hexanol, 6-bromo-

    5. Hexamethylene Bromohydrin

    6. 6-bromo-hexan-1-ol

    7. 6-hydroxyhexyl Bromide

    8. Mfcd00002983

    9. 3u3a1zly0t

    10. 6-bromo-hexanol

    11. 6-bromo-l-hexanol

    12. 1-bromo-6-hexanol

    13. 1-bromohexan-6-ol

    14. 6-bromo- 1-hexanol

    15. 6-bromo- 1 -hexanol

    16. Unii-3u3a1zly0t

    17. Schembl34356

    18. 6-bromo-1-hexanol, 97%

    19. Ethyl (4-fluorobenzoyl)formate

    20. Chembl1231334

    21. Dtxsid2063397

    22. Fcmcszxrvwdvaw-uhfffaoysa-

    23. Amy2822

    24. 6-bromo-1-hexanol (high Purity)

    25. Act07073

    26. Zinc2242705

    27. Bbl103898

    28. Stl557708

    29. Akos007930799

    30. Cs-w017171

    31. Db04637

    32. Ds-4962

    33. Bp-31084

    34. Sy017128

    35. Db-007123

    36. Ft-0600391

    37. 286b559

    38. A826039

    39. J-640342

    40. J-650298

    41. J-800345

    42. J-802158

    43. Q27095373

    44. 5,6-dichloro-n-(4-chloro-6-methyl-pyrimidin-2-yl)-1h-benzimidazol-2-amine;6-bromo-1-hexanol

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 181.07 g/mol
    Molecular Formula C6H13BrO
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count5
    Exact Mass180.01498 g/mol
    Monoisotopic Mass180.01498 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity39.5
    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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