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    CAS 3355-28-0

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    CAS 3355-28-0
    Also known as: 3355-28-0, 1-bromobut-2-yne, 2-butyne, 1-bromo-, 2-butynyl bromide, 1-bromo-but-2-yne, Bromo-2-butyne
    Molecular Formula
    C4H5Br
    Molecular Weight
    132.99  g/mol
    InChI Key
    LNNXOEHOXSYWLD-UHFFFAOYSA-N
    1 2D Structure

    CAS 3355-28-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-bromobut-2-yne
    2.1.2 InChI
    InChI=1S/C4H5Br/c1-2-3-4-5/h4H2,1H3
    2.1.3 InChI Key
    LNNXOEHOXSYWLD-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC#CCBr
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 3355-28-0

    2. 1-bromobut-2-yne

    3. 2-butyne, 1-bromo-

    4. 2-butynyl Bromide

    5. 1-bromo-but-2-yne

    6. Bromo-2-butyne

    7. 1-bromo2-butyne

    8. But-2-ynylbromide

    9. L-bromo-2-butine

    10. 1-bromo-2-butine

    11. 4-bromo-2-butyne

    12. But-2-ynyl Bromide

    13. Schembl41298

    14. 1-bromo-2-butyne, 99%

    15. Amy1227

    16. Dtxsid10373595

    17. Act08918

    18. Bcp17711

    19. Zinc2556446

    20. Bbl103446

    21. Mfcd00190233

    22. Stl557256

    23. Akos005256637

    24. Ab91641

    25. As-20130

    26. Db-019062

    27. Ft-0634801

    28. En300-61875

    29. 355b280

    30. A821831

    31. J-504388

    32. F0001-0987

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 132.99 g/mol
    Molecular Formula C4H5Br
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count0
    Rotatable Bond Count0
    Exact Mass131.95746 g/mol
    Monoisotopic Mass131.95746 g/mol
    Topological Polar Surface Area0 Ų
    Heavy Atom Count5
    Formal Charge0
    Complexity62.2
    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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