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    CAS 36865-41-5
    Also known as: 36865-41-5, 3-bromopropyl methyl ether, 1,3-bromomethoxypropane, 3-bromo-1-methoxypropane, Propane, 1-bromo-3-methoxy-, 3-methoxypropylbromide
    Molecular Formula
    C4H9BrO
    Molecular Weight
    153.02  g/mol
    InChI Key
    CEVMYGZHEJSOHZ-UHFFFAOYSA-N
    1 2D Structure

    CAS 36865-41-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromo-3-methoxypropane
    2.1.2 InChI
    InChI=1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3
    2.1.3 InChI Key
    CEVMYGZHEJSOHZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COCCCBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 36865-41-5

    2. 3-bromopropyl Methyl Ether

    3. 1,3-bromomethoxypropane

    4. 3-bromo-1-methoxypropane

    5. Propane, 1-bromo-3-methoxy-

    6. 3-methoxypropylbromide

    7. 3-methoxypropyl Bromide

    8. 3-methoxybromopropane

    9. 3-bromo-methoxypropane

    10. 3-bromopropylmethylether

    11. 3-methoxy-1-bromopropane

    12. 1-methoxy-3-bromopropane

    13. Gamma-methoxypropyl Bromide

    14. 1-bromo-3-methoxy Propane

    15. 1-bromo-3-methoxy-propane

    16. 3-bromo-1-methoxy Propane

    17. Schembl8171

    18. 1-bromanyl-3-methoxy-propane

    19. 1-bromo-3-(methyloxy)propane

    20. Dtxsid00335324

    21. Albb-030141

    22. Zinc2392168

    23. Bbl101812

    24. Mfcd02258473

    25. Stl555609

    26. 1-bromo-3-methoxypropane, Aldrichcpr

    27. Akos005255555

    28. Cs-w010945

    29. Gs-3265

    30. Db-013208

    31. Am20090592

    32. B3499

    33. Ft-0657681

    34. F11235

    35. A823412

    36. J-504428

    37. F0001-1062

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 153.02 g/mol
    Molecular Formula C4H9BrO
    XLogP31.2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count3
    Exact Mass151.98368 g/mol
    Monoisotopic Mass151.98368 g/mol
    Topological Polar Surface Area9.2 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity23.5
    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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