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    Technical details about CAS 5000-66-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 5000-66-8

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    2D Structure
    1. Also known as: 5000-66-8, 2-bromo-1-(2-chlorophenyl)ethanone, 2'-chlorophenacyl bromide, 2-bromo-1-(2-chlorophenyl)ethan-1-one, 2'-chloro-2-bromoacetophenone, 2-chlorophenacyl bromide
    Molecular Formula
    C8H6BrClO
    Molecular Weight
    233.49  g/mol
    InChI Key
    WZWWEVCLPKAQTA-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-1-(2-chlorophenyl)ethanone
    2.1.2 InChI
    InChI=1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
    2.1.3 InChI Key
    WZWWEVCLPKAQTA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C(=O)CBr)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 5000-66-8

    2. 2-bromo-1-(2-chlorophenyl)ethanone

    3. 2'-chlorophenacyl Bromide

    4. 2-bromo-1-(2-chlorophenyl)ethan-1-one

    5. 2'-chloro-2-bromoacetophenone

    6. 2-chlorophenacyl Bromide

    7. 2-chloro-2'-bromoacetophenone

    8. 2-bromo-1-(2-chlorophenyl)-1-ethanone

    9. Mfcd00832993

    10. 2-bromo-1-(2-chloro-phenyl)-ethanone

    11. 2-chlorophenacylbromide

    12. 2-chloro Phenacylbromide

    13. Schembl38141

    14. 2-bromo-2'-chloro Acetophenone

    15. 2-bromo-2\'-chloroacetophenone

    16. Dtxsid30370945

    17. 2'-chloro-alpha-bromoacetophenone

    18. Zinc166628

    19. Act00383

    20. Albb-021379

    21. 2-bromo-1-(chloro-phenyl)-ethanone

    22. Stl131875

    23. 2-bromo-1-(2-chlorophenyl) Ethanone

    24. 2-bromo-2'-chloroacetophenone, 95%

    25. Akos000210546

    26. Wt82486

    27. 2-bromo-1-(2'-chlorophenyl) Ethanone

    28. Ethanone, 2-bromo-1-(2-chlorophenyl)-

    29. Sy004173

    30. Db-020950

    31. Am20040572

    32. Cs-0008415

    33. Ft-0611329

    34. En300-20758

    35. 000b668

    36. 1y-0714

    37. J-508137

    38. 2-bromo-2 Inverted Exclamation Mark -chloroacetophenone

    39. F0001-1306

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 233.49 g/mol
    Molecular Formula C8H6BrClO
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass231.92906 g/mol
    Monoisotopic Mass231.92906 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity149
    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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