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    CAS 627-18-9

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    CAS 627-18-9
    Also known as: 3-bromopropan-1-ol, 627-18-9, Trimethylene bromohydrin, 1-propanol, 3-bromo-, 3-bromopropanol, 3-bromo-propan-1-ol
    Molecular Formula
    C3H7BrO
    Molecular Weight
    138.99  g/mol
    InChI Key
    RQFUZUMFPRMVDX-UHFFFAOYSA-N
    FDA UNII
    3T4AXH68FH
    1 2D Structure

    CAS 627-18-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-bromopropan-1-ol
    2.1.2 InChI
    InChI=1S/C3H7BrO/c4-2-1-3-5/h5H,1-3H2
    2.1.3 InChI Key
    RQFUZUMFPRMVDX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(CO)CBr
    2.2 Other Identifiers
    2.2.1 UNII
    3T4AXH68FH
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 3-bromopropan-1-ol

    2. 627-18-9

    3. Trimethylene Bromohydrin

    4. 1-propanol, 3-bromo-

    5. 3-bromopropanol

    6. 3-bromo-propan-1-ol

    7. 3-hydroxypropyl Bromide

    8. 1-bromo-3-propanol

    9. 1-bromo-3-hydroxypropane

    10. Unii-3t4axh68fh

    11. Mfcd00002942

    12. 3t4axh68fh

    13. Ncgc00091086-02

    14. Ccris 5979

    15. 3-bromopropane-1-ol

    16. Einecs 210-986-6

    17. Brn 0969160

    18. 3-brompropanol

    19. Ai3-52315

    20. 3-bromo Propanol

    21. 3-bromo-propanol

    22. 3-bromopropan-ol

    23. Bromopropan-3-ol

    24. 1-bromopropan-3-ol

    25. 3-bromo Propan-1-ol

    26. 3-bromanylpropan-1-ol

    27. 3-bromopropanol-(1)

    28. Dsstox_cid_4657

    29. (3-hydroxypropyl)-bromide

    30. 1-bromo-3-hydroxy-propane

    31. 3-hydroxyprop-1-yl Bromide

    32. Dsstox_rid_77485

    33. Dsstox_gsid_24657

    34. Schembl13044

    35. 3-bromo-1-propanol, 97%

    36. Chembl466545

    37. Bromo-1-propanol, 3-

    38. Dtxsid3024657

    39. Bdbm36111

    40. Chebi:144333

    41. Str02760

    42. Zinc2031639

    43. Tox21_400042

    44. Bbl027416

    45. Stl371946

    46. Akos015856419

    47. Cs-w007337

    48. Sb37999

    49. Ncgc00091086-01

    50. Ncgc00091086-03

    51. Bp-30238

    52. Bp-31189

    53. Cas-627-18-9

    54. Sy001898

    55. Am20100533

    56. B0641

    57. Ft-0615126

    58. A833950

    59. J-512126

    60. Q27257997

    61. F0001-1683

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 138.99 g/mol
    Molecular Formula C3H7BrO
    XLogP30.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass137.96803 g/mol
    Monoisotopic Mass137.96803 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count5
    Formal Charge0
    Complexity16.4
    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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