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    Technical details about CAS1532-97-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS1532-97-4

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 1532-97-4, Isoquinoline, 4-bromo-, 4-bromo-isoquinoline, Mfcd00006904, 4-isoquinolinyl bromide, 4bromoisoquinoline
    Molecular Formula
    C9H6BrN
    Molecular Weight
    208.05  g/mol
    InChI Key
    SCRBSGZBTHKAHU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-bromoisoquinoline
    2.1.2 InChI
    InChI=1S/C9H6BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H
    2.1.3 InChI Key
    SCRBSGZBTHKAHU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C2C(=C1)C=NC=C2Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1532-97-4

    2. Isoquinoline, 4-bromo-

    3. 4-bromo-isoquinoline

    4. Mfcd00006904

    5. 4-isoquinolinyl Bromide

    6. 4bromoisoquinoline

    7. Nsc56333

    8. Einecs 216-244-8

    9. Nsc 56333

    10. Ai3-61891

    11. 4-bromoisoquinoline, 98%

    12. Schembl111247

    13. Dtxsid00165284

    14. Albb-020931

    15. Bcp23463

    16. Cs-d1707

    17. Str02942

    18. Nsc-56333

    19. Akos000265327

    20. Ab00815

    21. Ac-2847

    22. Fs-2636

    23. Bp-10040

    24. Hy-34490

    25. Sy003110

    26. Db-005341

    27. Am20070078

    28. B0930

    29. Ns00024989

    30. En300-62642

    31. A23332

    32. Ac-907/25014358

    33. W-108037

    34. Z57474193

    35. Inchi=1/c9h6brn/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 208.05 g/mol
    Molecular Formula C9H6BrN
    XLogP32.8
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area12.9
    Heavy Atom Count11
    Formal Charge0
    Complexity138
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1