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    Technical details about CAS 86499-96-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 86499-96-9

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 86499-96-9, 3-bromo-4,5-dihydro-1h-benzo[b]azepin-2(3h)-one, 3-bromo-2,3,4,5-tetrahydro-2h-benzo[b]azepin-2-one, 3-bromo-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one, 3-bromo-2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepine
    Molecular Formula
    C10H10BrNO
    Molecular Weight
    240.10  g/mol
    InChI Key
    JMXPGCGROVEPID-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one
    2.1.2 InChI
    InChI=1S/C10H10BrNO/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6H2,(H,12,13)
    2.1.3 InChI Key
    JMXPGCGROVEPID-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC2=CC=CC=C2NC(=O)C1Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 86499-96-9

    2. 3-bromo-4,5-dihydro-1h-benzo[b]azepin-2(3h)-one

    3. 3-bromo-2,3,4,5-tetrahydro-2h-benzo[b]azepin-2-one

    4. 3-bromo-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

    5. 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one

    6. 3-bromo-2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepine

    7. 2h-1-benzazepin-2-one, 3-bromo-1,3,4,5-tetrahydro-

    8. 3-bromo-2,3,4,5-trtrahydro-2h-1-benzazepine-2-one

    9. Mfcd03085918

    10. A-bromobenzocaprolactam

    11. Alpha-bromobenzo-caprolactam

    12. 3-bromo-1,3,4,5-tetrahydro-2h-benzazepin-2-one

    13. 3-bromo-1,3,4,5-tetrahydro-2h-1-benzazepine-2-one

    14. 3-bromo-2,3,4,5-tetrahydro-2h-1-benzazepin-2-one

    15. Schembl2214341

    16. 3-bromo-1,3,4,5-tetrahydro-2h-benzo[b]azepin-2-one

    17. Amy4125

    18. Dtxsid40373760

    19. Albb-029081

    20. Bcp34603

    21. Bbl010024

    22. Stk711122

    23. Akos005530697

    24. Ac-6870

    25. Sb39152

    26. As-10875

    27. Sy020870

    28. Db-022302

    29. B3393

    30. Cs-0004294

    31. Ft-0642044

    32. 3-bromo-1,3,4,5-tetrahydrobenzo[b]azepin-2-one

    33. 499b969

    34. A841687

    35. An-668/40768842

    36. 3-bromo-4,5-dihydro-1h-1-benzoazepine-2(3h)-one

    37. J-511785

    38. 3-bromo-1,3,4,5-tertrahydro-2h-1-benzazepin-2-one

    39. 3-bromo-1,3,4,5-tetrahydro-2h-1-benzaepine-2-one

    40. 2h-1-benzazepin-2-one,3-bromo-1,3,4,5-tetrahydro-

    41. 3-bromo-2,3,4,5-tetrahydro-1h-[1]-benzazepin-2-one

    42. 3-bromo-1,3,4,5-tetrahydro-1-benzazepin-2-one;3-bromo-2,3,4,5-trtrahydro-2h-1-benzazepine-2-one

    43. 3-bromo-4,5-dihydro-1h-benzo[b]azepin-2(3h)-one;3-bromo-2,3,4,5-tetrahydro-2h-benzo[b]azepin-2-one

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 240.10 g/mol
    Molecular Formula C10H10BrNO
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass238.99458 g/mol
    Monoisotopic Mass238.99458 g/mol
    Topological Polar Surface Area29.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity207
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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