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    2882-19-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2882-19-1, Ethyl alpha-bromophenylacetate, Ethyl 2-bromo-2-phenylacetate, 2216-90-2, Benzeneacetic acid, alpha-bromo-, ethyl ester, Ethyl bromo(phenyl)acetate
    Molecular Formula
    C10H11BrO2
    Molecular Weight
    243.10  g/mol
    InChI Key
    BKTKLDMYHTUESO-UHFFFAOYSA-N
    FDA UNII
    0N3C9JY41X
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-bromo-2-phenylacetate
    2.1.2 InChI
    InChI=1S/C10H11BrO2/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
    2.1.3 InChI Key
    BKTKLDMYHTUESO-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(C1=CC=CC=C1)Br
    2.2 Other Identifiers
    2.2.1 UNII
    0N3C9JY41X
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 2882-19-1

    2. Ethyl Alpha-bromophenylacetate

    3. Ethyl 2-bromo-2-phenylacetate

    4. 2216-90-2

    5. Benzeneacetic Acid, Alpha-bromo-, Ethyl Ester

    6. Ethyl Bromo(phenyl)acetate

    7. Benzeneacetic Acid, .alpha.-bromo-, Ethyl Ester

    8. Alpha-bromobenzeneacetic Acid Ethyl Ester

    9. Ethyl-alpha-bromophenyl Acetate

    10. 0n3c9jy41x

    11. Dtxsid8041951

    12. Ethyl-.alpha.-bromophenyl Acetate

    13. Nsc-38807

    14. Acetic Acid, Bromophenyl-, Ethyl Ester

    15. Ethyl 2-bromo-2-phenyl-acetate

    16. Unii-0n3c9jy41x

    17. Ethyl (1)-bromophenylacetate

    18. Bromo-phenyl-acetic Acid Ethyl Ester

    19. Einecs 218-701-7

    20. Einecs 220-735-2

    21. Ethyl Bromo-phenylacetate

    22. Ethyl A-bromophenylacetate

    23. Ethyl Bromo(phenyl)acetate #

    24. Ethyl-alpha-bromophenylacetate

    25. Schembl280401

    26. Ethyl Alpha-bromobenzeneacetate

    27. Ethyl Alpha -bromophenylacetate

    28. Chembl3187649

    29. Dtxcid6021951

    30. Ethyl .alpha.-bromophenylacetate

    31. Bromophenylacetic Acid Ethyl Ester

    32. Nsc38807

    33. Tox21_301444

    34. Ethyl Alpha-bromophenylacetate, 97%

    35. Mfcd00013536

    36. Nsc 38807

    37. Akos005068226

    38. Benzeneacetic Acid,a-bromo-,ethyl Ester

    39. Ncgc00255882-01

    40. As-48708

    41. Cas-2882-19-1

    42. Ethyl Bromophenylacetate, (+/-)-

    43. Db-047465

    44. Db-370507

    45. Ns00028559

    46. Ns00083329

    47. A18578

    48. En300-160259

    49. F52714

    50. Ethyl (+/-)-.alpha.-bromobenzeneacetate

    51. Ethyl (+/-)-.alpha.-bromophenylacetate

    52. W-107027

    53. Dl-.alpha.-bromophenylacetic Acid Ethyl Ester

    54. Q27236983

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 243.10 g/mol
    Molecular Formula C10H11BrO2
    XLogP33
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area26.3
    Heavy Atom Count13
    Formal Charge0
    Complexity164
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1