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    CAS-607-35-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 607-35-2, Quinoline, 8-nitro-, 8-nitro-quinoline, 8-nitroqunioline, Mfcd00006806, Ywo6s88v4v
    Molecular Formula
    C9H6N2O2
    Molecular Weight
    174.16  g/mol
    InChI Key
    OQHHSGRZCKGLCY-UHFFFAOYSA-N
    FDA UNII
    YWO6S88V4V
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-nitroquinoline
    2.1.2 InChI
    InChI=1S/C9H6N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1-6H
    2.1.3 InChI Key
    OQHHSGRZCKGLCY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C(=C1)[N+](=O)[O-])N=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    YWO6S88V4V
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 607-35-2

    2. Quinoline, 8-nitro-

    3. 8-nitro-quinoline

    4. 8-nitroqunioline

    5. Mfcd00006806

    6. Ywo6s88v4v

    7. Chembl167727

    8. Nsc-346

    9. Ccris 457

    10. Hsdb 5092

    11. Nsc 346

    12. Einecs 210-135-9

    13. Unii-ywo6s88v4v

    14. Brn 0135178

    15. Ai3-08912

    16. Nsc346

    17. 4msn

    18. Gilstone - Yellow

    19. Dsstox_cid_985

    20. 8-nitro Quinoline

    21. 8-nitroquinoline, 98%

    22. Dsstox_rid_75907

    23. Dsstox_gsid_20985

    24. Wln: T66 Bnj Jnw

    25. Schembl949962

    26. 8-nitroquinoline [hsdb]

    27. Dtxsid6020985

    28. Zinc334909

    29. Act05937

    30. Amy23310

    31. Bcp18535

    32. Tox21_200683

    33. Bdbm50532274

    34. Stk801629

    35. Akos000277126

    36. Ac-2532

    37. Cs-w007962

    38. Sb67567

    39. Ncgc00248797-01

    40. Ncgc00248797-02

    41. Ncgc00258237-01

    42. As-17301

    43. Cas-607-35-2

    44. Sy001853

    45. Db-031637

    46. Ft-0621571

    47. N0345

    48. A26303

    49. I11489

    50. Ab00443675-03

    51. 607n352

    52. Aj-333/25006054

    53. Q270157

    54. W-105230

    55. W-203269

    56. F1716-0337

    57. 2zq

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 174.16 g/mol
    Molecular Formula C9H6N2O2
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass174.042927438 g/mol
    Monoisotopic Mass174.042927438 g/mol
    Topological Polar Surface Area58.7 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity202
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1