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    2-bromo-1-(4-(methylsulfonyl)phenyl)-1-ethanone

    BUILDING BLOCK

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    2D Structure
    Also known as: 50413-24-6, 2-bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone, 2-bromo-1-(4-methylsulfonylphenyl)ethanone, 2-bromo-1-(4-methanesulfonyl-phenyl)-ethanone, 2-bromo-4'-(methylsulfonyl)acetophenone, Ethanone, 2-bromo-1-[4-(methylsulfonyl)phenyl]-
    Molecular Formula
    C9H9BrO3S
    Molecular Weight
    277.14  g/mol
    InChI Key
    JOCMYOUZIDSYFO-UHFFFAOYSA-N
    FDA UNII
    VBF9OCP8XO
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-bromo-1-(4-methylsulfonylphenyl)ethanone
    2.1.2 InChI
    InChI=1S/C9H9BrO3S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3
    2.1.3 InChI Key
    JOCMYOUZIDSYFO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)C1=CC=C(C=C1)C(=O)CBr
    2.2 Other Identifiers
    2.2.1 UNII
    VBF9OCP8XO
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 50413-24-6

    2. 2-bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone

    3. 2-bromo-1-(4-methylsulfonylphenyl)ethanone

    4. 2-bromo-1-(4-methanesulfonyl-phenyl)-ethanone

    5. 2-bromo-4'-(methylsulfonyl)acetophenone

    6. Ethanone, 2-bromo-1-[4-(methylsulfonyl)phenyl]-

    7. 2-bromo-1-[4-(methylsulfonyl)phenyl]ethanone

    8. 4-(methylsulphonyl)phenacyl Bromide

    9. Vbf9ocp8xo

    10. 2-bromo-1-(4-methanesulfonylphenyl)ethan-1-one

    11. P-methylsulfonylphenacyl Bromide

    12. 2-bromo-1-(4-methanesulfonylphenyl)ethanone

    13. Mfcd00673134

    14. Ethanone, 2-bromo-1-(4-(methylsulfonyl)phenyl)-

    15. Unii-vbf9ocp8xo

    16. Schembl125350

    17. 4-methylsulphonylphenacyl Bromide

    18. Dtxsid10352845

    19. 4-(methylsulfonyl)phenacyl Bromide

    20. Bcp22643

    21. 2-bromo-4'-methylsulfonylacetophenone

    22. 2-bromo-4'-methanesulfonylacetophenone

    23. Akos000210897

    24. Sb37388

    25. 2-bromo-4'-methylsulphonyl Acetophenone

    26. 2-bromo-4'-(methylsulfonyl) Acetophenone

    27. Ac-16484

    28. Sy050818

    29. Db-010944

    30. 2bromo-1-(4-(methylsulfonyl)phenyl)ethanone

    31. A7478

    32. B2573

    33. Cs-0186566

    34. Ns00122592

    35. 2-bromo-l-(4-(methylsulfonyl)phenyl)ethanone

    36. En300-11685

    37. 2-bromo-1-(4-(methylsulfonyl) Phenyl)ethanone

    38. 2-bromo-1-(4-(methylsulfonyl)phenyl) Ethanone

    39. 2-bromo-1-(4-methanesulphonylphenyl)-ethanone

    40. D88941

    41. 2-bromo-l-(4-(methylsulfonyl) Phenyl) Ethanone

    42. 9w-0291

    43. 2-bromo-1-[4-(methanesulfonyl)phenyl]ethan-1-one

    44. J-508149

    45. 2-bromo-1-(4-(methanesulfonyl)phenyl)ethanone

    46. Z57980561

    47. 2-bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone, Aldrichcpr

    48. 2-bromo-4 Inverted Exclamation Mark -(methylsulfonyl)acetophenone

    2.3.2 Other Synonyms

    1. Cas No 50413-24-6

    2. Bromomethylsulfonylphenylethanone

    3. 2-bromo-1-(4-(methylsulfonyl)phenyl)-1-ethanone

    2.4 Create Date
    2005-07-08
    3 Chemical and Physical Properties
    Molecular Weight 277.14 g/mol
    Molecular Formula C9H9BrO3S
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area59.6
    Heavy Atom Count14
    Formal Charge0
    Complexity297
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1