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    CAS 5332-25-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5332-25-2, Quinoline, 6-bromo-, 6-bromo-quinoline, 6-bromo quinoline, Mfcd00024023, Ks7hd5uj94
    Molecular Formula
    C9H6BrN
    Molecular Weight
    208.05  g/mol
    InChI Key
    IFIHYLCUKYCKRH-UHFFFAOYSA-N
    FDA UNII
    KS7HD5UJ94
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-bromoquinoline
    2.1.2 InChI
    InChI=1S/C9H6BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-6H
    2.1.3 InChI Key
    IFIHYLCUKYCKRH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=CC(=C2)Br)N=C1
    2.2 Other Identifiers
    2.2.1 UNII
    KS7HD5UJ94
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5332-25-2

    2. Quinoline, 6-bromo-

    3. 6-bromo-quinoline

    4. 6-bromo Quinoline

    5. Mfcd00024023

    6. Ks7hd5uj94

    7. Nsc-3996

    8. Nsc3996

    9. Nsc 3996

    10. Einecs 226-238-7

    11. 6-bromoquinoline, 97%

    12. Unii-ks7hd5uj94

    13. Chembl59518

    14. Schembl358850

    15. Dtxsid5063788

    16. Zinc78186

    17. Act10708

    18. Bcp32570

    19. Stk760082

    20. 6-bromo-quinolin;quinoline, 6-bromo-

    21. Akos005199980

    22. Ab01417

    23. Ac-3293

    24. Ccg-321550

    25. Cs-w007403

    26. Ps-4259

    27. Quinoline, 6-bromo-;6-bromo-quinoline

    28. Sy004614

    29. Am20070077

    30. Bb 0237193

    31. Eu-0018623

    32. Ft-0602231

    33. En300-51894

    34. A26285

    35. 332b252

    36. Ag-205/12083031

    37. Sr-01000523992

    38. Sr-01000523992-1

    39. W-105750

    2.4 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 Mass206.96836 g/mol
    Monoisotopic Mass206.96836 g/mol
    Topological Polar Surface Area12.9 Ų
    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