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    BUILDING BLOCK

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    Chemistry

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    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
    CAS 5332-25-2
    1 2D Structure

    CAS 5332-25-2

    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

    BUILDING BLOCK

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