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    Ethyl 2-Bromoisovalerate

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: 609-12-1, Ethyl 2-bromo-3-methylbutanoate, Ethyl 2-bromo-3-methylbutyrate, Butanoic acid, 2-bromo-3-methyl-, ethyl ester, Ethyl .alpha.-bromoisovalerate, Ethyl alpha-bromoisovalerate
    Molecular Formula
    C7H13BrO2
    Molecular Weight
    209.08  g/mol
    InChI Key
    WNFUWONOILPKNX-UHFFFAOYSA-N
    FDA UNII
    4J9877130M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-bromo-3-methylbutanoate
    2.1.2 InChI
    InChI=1S/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3
    2.1.3 InChI Key
    WNFUWONOILPKNX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(C(C)C)Br
    2.2 Other Identifiers
    2.2.1 UNII
    4J9877130M
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 609-12-1

    2. Ethyl 2-bromo-3-methylbutanoate

    3. Ethyl 2-bromo-3-methylbutyrate

    4. Butanoic Acid, 2-bromo-3-methyl-, Ethyl Ester

    5. Ethyl .alpha.-bromoisovalerate

    6. Ethyl Alpha-bromoisovalerate

    7. 2-bromoisovaleric Acid Ethyl Ester

    8. Butyric Acid, 2-bromo-3-methyl-, Ethyl Ester

    9. Nsc-8866

    10. .alpha.-bromoisovaleric Acid Ethyl Ester

    11. 2-bromo-3-methyl-butyric Acid Ethyl Ester

    12. 4j9877130m

    13. Ethyl 2-bromo Isovalerate

    14. Alpha-bromoisovaleric Acid Ethyl Ester

    15. Ethyl 2-bromo-3-methyl-butanoate

    16. Unii-4j9877130m

    17. Nsc 8866

    18. Einecs 210-178-3

    19. Ethyl A-bromoisovalerate

    20. Ethyl-2-bromoisovalerate

    21. Ai3-52374

    22. 2-bromoisovalerianic Acid Ethyl Ester

    23. Ethyl 2-bromoisopentanoate

    24. Schembl89146

    25. Ethyl2-bromo-3-methylbutanoate

    26. Ethyl-2-bromo-3-methylbutyrate

    27. 2-bromo Isovaleric Acid

    28. Dtxsid20870681

    29. Nsc8866

    30. Ethyl-2-bromo-3-methyl-butanoate

    31. Act02956

    32. Mfcd00026855

    33. Stl452992

    34. Akos003625012

    35. Akos016842351

    36. Cs-w022654

    37. Sb13077

    38. 3-(2-chlorophenyl)-1h-indol-5-amine

    39. 2-bromo-3-methylbutyric Acid Ethyl Ester

    40. Bp-13193

    41. Ethyl 2-bromoisovalerate [who-dd]

    42. Db-053738

    43. Ethyl 2-bromo-3-methylbutyrate, Aldrichcpr

    44. Am20100480

    45. E0969

    46. Ft-0602541

    47. En300-40930

    48. 2-bromo-3-methylbutanoic Acid Ethyl Ester

    49. W-105222

    50. Q27259740

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 209.08 g/mol
    Molecular Formula C7H13BrO2
    XLogP32.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count4
    Exact Mass208.00989 g/mol
    Monoisotopic Mass208.00989 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity112
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1