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    2-Bromopropiophenone

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2114-00-3, Alpha-bromopropiophenone, 2-bromo-1-phenylpropan-1-one, 1-propanone, 2-bromo-1-phenyl-, 1-benzoyl-1-bromoethane, 1-bromoethyl phenyl ketone
    Molecular Formula
    C9H9BrO
    Molecular Weight
    213.07  g/mol
    InChI Key
    WPDWOCRJBPXJFM-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-1-phenylpropan-1-one
    2.1.2 InChI
    InChI=1S/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3
    2.1.3 InChI Key
    WPDWOCRJBPXJFM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C(=O)C1=CC=CC=C1)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2114-00-3

    2. Alpha-bromopropiophenone

    3. 2-bromo-1-phenylpropan-1-one

    4. 1-propanone, 2-bromo-1-phenyl-

    5. 1-benzoyl-1-bromoethane

    6. 1-bromoethyl Phenyl Ketone

    7. Tl 336

    8. 2-bromo-1-phenyl-1-propanone

    9. Propiophenone, 2-bromo-

    10. 2-bromo-1-phenyl-propan-1-one

    11. Nsc 89689

    12. .alpha.-bromopropiophenone

    13. Einecs 218-307-5

    14. 2-bromo-propiophenone

    15. Brn 0508550

    16. Wln: Ey1&vr

    17. 2-bromopropiophenone, 95%

    18. Schembl187606

    19. .alpha.-methylphenacyl Bromide

    20. 1-phenyl-2-bromo-1-propanone

    21. 1-phenyl-1-oxo-2-bromopropane

    22. .alpha.-bromoethyl Phenyl Ketone

    23. Dtxsid10870938

    24. 2-bromo-1-phenyl-1-propanone #

    25. Albb-021327

    26. Nsc89689

    27. Mfcd00000145

    28. Nsc-89689

    29. Akos000210946

    30. Akos016050375

    31. Db-013015

    32. 2-bromopropiophenone, Technical Grade, 90%

    33. Am20060546

    34. B2933

    35. Cs-0204638

    36. Ft-0622122

    37. En300-20881

    38. F14834

    39. 4-07-00-00684 (beilstein Handbook Reference)

    40. A815161

    41. A828397

    42. W-107571

    43. 2-bromo-1-(o-tolyl)ethanone;2-bromo-2'-methylacetophenone

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 213.07 g/mol
    Molecular Formula C9H9BrO
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass211.98368 g/mol
    Monoisotopic Mass211.98368 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity139
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1