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    CAS 1878-67-7

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1878-67-7, 2-(3-bromophenyl)acetic acid, (3-bromophenyl)acetic acid, M-bromophenylacetic acid, Benzeneacetic acid, 3-bromo-, 3-bromo-phenylacetic acid
    Molecular Formula
    C8H7BrO2
    Molecular Weight
    215.04  g/mol
    InChI Key
    KYNNBXCGXUOREX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(3-bromophenyl)acetic acid
    2.1.2 InChI
    InChI=1S/C8H7BrO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
    2.1.3 InChI Key
    KYNNBXCGXUOREX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)Br)CC(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1878-67-7

    2. 2-(3-bromophenyl)acetic Acid

    3. (3-bromophenyl)acetic Acid

    4. M-bromophenylacetic Acid

    5. Benzeneacetic Acid, 3-bromo-

    6. 3-bromo-phenylacetic Acid

    7. 3-bromophenyl Acetic Acid

    8. Mfcd00004330

    9. 3-bromophenylaceticacid

    10. Einecs 217-522-1

    11. M-bromo Phenylacetic Acid

    12. 3-bromobenzeneacetic Acid

    13. Meta-bromophenylacetic Acid

    14. 3-bromo-phenyl Acetic Acid

    15. 3-bromo-phenyl-acetic Acid

    16. (3-bromo-phenyl)acetic Acid

    17. (3-bromophenyl) Acetic Acid

    18. Schembl78652

    19. Chembl139276

    20. 2-(3-bromophenyl) Acetic Acid

    21. 3-bromophenylacetic Acid, 98%

    22. Dtxsid0075152

    23. Kynnbxcgxuorex-uhfffaoysa-

    24. 2-(3-bromo-phenyl)-acetic Acid

    25. Zinc156261

    26. Act01192

    27. Akos000142259

    28. Ab00359

    29. Ac-3364

    30. Am62273

    31. Cs-w004766

    32. Ps-4772

    33. Ac-16343

    34. Sy004367

    35. Db-022393

    36. Ft-0615238

    37. En300-59283

    38. A21774

    39. 878b677

    40. Ae-562/43460499

    41. W-107765

    42. Q63409368

    43. F0001-0674

    44. Z1259041060

    45. 2-(3-bromophenyl)acetic Acid;benzeneacetic Acid, 3-bromo-

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 215.04 g/mol
    Molecular Formula C8H7BrO2
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass213.96294 g/mol
    Monoisotopic Mass213.96294 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity147
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1