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    Technical details about CAS 4870-65-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 4870-65-9

    BUILDING BLOCK

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    2D Structure
    Also known as: 2-bromo-2-phenylacetic acid, 4870-65-9, Bromo(phenyl)acetic acid, Bromophenylacetic acid, .alpha.-bromophenylacetic acid, Bromo-phenylacetic acid
    Molecular Formula
    C8H7BrO2
    Molecular Weight
    215.04  g/mol
    InChI Key
    WAKFRZBXTKUFIW-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

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

    1. 2-bromo-2-phenylacetic Acid

    2. 4870-65-9

    3. Bromo(phenyl)acetic Acid

    4. Bromophenylacetic Acid

    5. .alpha.-bromophenylacetic Acid

    6. Bromo-phenylacetic Acid

    7. Dl-.alpha.-bromophenylacetic Acid

    8. Benzeneacetic Acid, .alpha.-bromo-

    9. Einecs 225-477-4

    10. Bromo(phenyl)aceticacid

    11. Bromo (phenyl)aceticacid

    12. Bromo-phenyl-acetic Acid

    13. Bromo (phenyl)acetic Acid

    14. Alpha-bromphenylacetic Acid

    15. Bromo(phenyl)acetic Acid #

    16. Alpha-bromophenyl Acetic Acid

    17. Schembl234580

    18. A-bromophenylacetic Acid, Pract.

    19. Dtxsid401314228

    20. Alpha-bromo-alpha-phenylacetic Acid

    21. Alpha-bromophenylacetic Acid, 98%

    22. Nsc59241

    23. Mfcd00004206

    24. Nsc 59241

    25. Nsc-59241

    26. Stl191471

    27. Akos005067634

    28. Db-020592

    29. Am20060635

    30. B0984

    31. Ns00015781

    32. En300-110722

    33. W-106044

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 215.04 g/mol
    Molecular Formula C8H7BrO2
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area37.3
    Heavy Atom Count11
    Formal Charge0
    Complexity141
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1