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    Technical details about CAS 2075-46-9, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 2075-46-9

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    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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    2D Structure
    1. Also known as: 4-nitropyrazole, 2075-46-9, 1h-pyrazole, 4-nitro-, Pyrazole, 4-nitro-, Mfcd00159626, 4-nitropyrrazole
    Molecular Formula
    C3H3N3O2
    Molecular Weight
    113.08  g/mol
    InChI Key
    XORHNJQEWQGXCN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-nitro-1H-pyrazole
    2.1.2 InChI
    InChI=1S/C3H3N3O2/c7-6(8)3-1-4-5-2-3/h1-2H,(H,4,5)
    2.1.3 InChI Key
    XORHNJQEWQGXCN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=NN1)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4-nitropyrazole

    2. 2075-46-9

    3. 1h-pyrazole, 4-nitro-

    4. Pyrazole, 4-nitro-

    5. Mfcd00159626

    6. 4-nitropyrrazole

    7. 4-nitropyrazol

    8. 4-no2-pyrazole

    9. 4-nitro-1h-pyrazol

    10. 1h-pyrazole-4-nitro

    11. 4-nitro-1-h-pyrazole

    12. 4-nitro-1h-pyrazole #

    13. Schembl163689

    14. 4-nitro-1h-pyrazole, 97%

    15. Dtxsid10174827

    16. Act01777

    17. Albb-004465

    18. Bcp26162

    19. Zinc1049761

    20. Stk263689

    21. Akos000304521

    22. Akos015921872

    23. Ab04175

    24. Ac-4814

    25. Cs-w002458

    26. Nb-0818

    27. Sb35228

    28. Sy005156

    29. Db-012171

    30. Am20090169

    31. Bb 0257959

    32. Ft-0647777

    33. N0862

    34. 4-nitro-1h-pyrazole;1h-pyrazole, 4-nitro-

    35. En300-30405

    36. A929152

    37. Af-625/00306041

    38. J-013591

    39. J-515862

    40. F2147-0932

    41. 76216-85-8

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 113.08 g/mol
    Molecular Formula C3H3N3O2
    XLogP30.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass113.022526347 g/mol
    Monoisotopic Mass113.022526347 g/mol
    Topological Polar Surface Area74.5 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity99.2
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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