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    CAS 1198-14-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1198-14-7, 5-bromo-8-hydroxyquinoline, 8-quinolinol, 5-bromo-, 5-bromo-8-quinolinol, 5-bromo-8-oxyquinoline, 5-bromo-8-hydroxy quinoline
    Molecular Formula
    C9H6BrNO
    Molecular Weight
    224.05  g/mol
    InChI Key
    WIIUANWSGSTCLG-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromoquinolin-8-ol
    2.1.2 InChI
    InChI=1S/C9H6BrNO/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H
    2.1.3 InChI Key
    WIIUANWSGSTCLG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=CC(=C2N=C1)O)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1198-14-7

    2. 5-bromo-8-hydroxyquinoline

    3. 8-quinolinol, 5-bromo-

    4. 5-bromo-8-quinolinol

    5. 5-bromo-8-oxyquinoline

    6. 5-bromo-8-hydroxy Quinoline

    7. Einecs 214-829-2

    8. Nsc 74941

    9. Brn 0129563

    10. Nsc74941

    11. Oprea1_227628

    12. 5-21-03-00288 (beilstein Handbook Reference)

    13. Schembl113482

    14. Amy4308

    15. Dtxsid20152590

    16. Hms1595o03

    17. Albb-024963

    18. Mfcd00457011

    19. Nsc-74941

    20. Stk370867

    21. Zinc11535743

    22. Akos002286988

    23. Ac-4822

    24. Cs-w008422

    25. Sb71615

    26. Ds-13339

    27. Ft-0656515

    28. 198b147

    29. Sr-01000289102

    30. Sr-01000289102-1

    31. W-108496

    32. F3308-0252

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 224.05 g/mol
    Molecular Formula C9H6BrNO
    XLogP32.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass222.96328 g/mol
    Monoisotopic Mass222.96328 g/mol
    Topological Polar Surface Area33.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity165
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1