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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 749927-69-3, N-methyl 4-bromo-2-fluorobenzamide, N-methyl-4-bromo-2-fluorobenzamide, 4-bromo-2-fluoro-n-methyl-benzamide, Mfcd09878362, Enzalutamide impurity b
    Molecular Formula
    C8H7BrFNO
    Molecular Weight
    232.05  g/mol
    InChI Key
    BAJCFNRLEJHPTQ-UHFFFAOYSA-N
    CAS 749927-69-3
    1 2D Structure

    CAS 749927-69-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-bromo-2-fluoro-N-methylbenzamide
    2.1.2 InChI
    InChI=1S/C8H7BrFNO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H,11,12)
    2.1.3 InChI Key
    BAJCFNRLEJHPTQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CNC(=O)C1=C(C=C(C=C1)Br)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 749927-69-3

    2. N-methyl 4-bromo-2-fluorobenzamide

    3. N-methyl-4-bromo-2-fluorobenzamide

    4. 4-bromo-2-fluoro-n-methyl-benzamide

    5. Mfcd09878362

    6. Enzalutamide Impurity B

    7. Schembl1648482

    8. Dtxsid80640781

    9. Amy16495

    10. Bcp28346

    11. Zinc19436095

    12. Akos000174135

    13. Pb47809

    14. Ac-31338

    15. As-18050

    16. Sy037918

    17. B5074

    18. Cs-0008505

    19. Ft-0696837

    20. A856460

    2.3 Create Date
    2008-02-29
    3 Chemical and Physical Properties
    Molecular Weight 232.05 g/mol
    Molecular Formula C8H7BrFNO
    XLogP32
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass230.96950 g/mol
    Monoisotopic Mass230.96950 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity176
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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