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    CAS 1313372-75-6

    BUILDING BLOCK

    MARKET PLACE

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6494-19-5, 3-methyl-6-nitroindazole, 3-methyl-6-nitro-2h-indazole, 1313372-75-6, 3-methyl-6-nitro-indazole, 1h-indazole, 3-methyl-6-nitro-
    Molecular Formula
    C8H7N3O2
    Molecular Weight
    177.16  g/mol
    InChI Key
    FUNWSYKLFDLUIZ-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-methyl-6-nitro-2H-indazole
    2.1.2 InChI
    InChI=1S/C8H7N3O2/c1-5-7-3-2-6(11(12)13)4-8(7)10-9-5/h2-4H,1H3,(H,9,10)
    2.1.3 InChI Key
    FUNWSYKLFDLUIZ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C2C=CC(=CC2=NN1)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6494-19-5

    2. 3-methyl-6-nitroindazole

    3. 3-methyl-6-nitro-2h-indazole

    4. 1313372-75-6

    5. 3-methyl-6-nitro-indazole

    6. 1h-indazole, 3-methyl-6-nitro-

    7. 2h-indazole,3-methyl-6-nitro-

    8. Mfcd07082704

    9. Pazopanib Impurity 1

    10. 6-nitro-3-methylindazole

    11. Schembl588431

    12. Dtxsid30448355

    13. Act04824

    14. Bcp18726

    15. Cs-m3238

    16. Zinc16677949

    17. Akos006336244

    18. Akos015842681

    19. Akos034830315

    20. Gs-3590

    21. Pb24959

    22. Sy017482

    23. Db-128423

    24. A8841

    25. Am20050454

    26. Cs-0166802

    27. Ft-0649105

    28. M2358

    29. F20398

    30. 494m195

    31. J-512882

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 177.16 g/mol
    Molecular Formula C8H7N3O2
    XLogP31.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass177.053826475 g/mol
    Monoisotopic Mass177.053826475 g/mol
    Topological Polar Surface Area74.5 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity216
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1