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    Technical details about CAS 4897-25-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 4897-25-0

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    2D Structure
    1. Also known as: 4897-25-0, 5-chloro-1-methyl-4-nitro-1h-imidazole, 1h-imidazole, 5-chloro-1-methyl-4-nitro-, 1-methyl-5-chloro-4-nitroimidazole, Pcmni, Imidazole, 5-chloro-1-methyl-4-nitro-
    Molecular Formula
    C4H4ClN3O2
    Molecular Weight
    161.55  g/mol
    InChI Key
    OSJUNMSWBBOTQU-UHFFFAOYSA-N
    FDA UNII
    P917JW98BD
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-chloro-1-methyl-4-nitroimidazole
    2.1.2 InChI
    InChI=1S/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3
    2.1.3 InChI Key
    OSJUNMSWBBOTQU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=NC(=C1Cl)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    P917JW98BD
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-methyl- 4-nitro-5-chloroimidazoles

    2. 1-methyl-5-chloro-4-nitroimidazole

    3. Cmni

    4. Nsc 7852

    2.3.2 Depositor-Supplied Synonyms

    1. 4897-25-0

    2. 5-chloro-1-methyl-4-nitro-1h-imidazole

    3. 1h-imidazole, 5-chloro-1-methyl-4-nitro-

    4. 1-methyl-5-chloro-4-nitroimidazole

    5. Pcmni

    6. Imidazole, 5-chloro-1-methyl-4-nitro-

    7. Cmni

    8. 1-methyl-4-nitro-5-chloroimidazole

    9. Mfcd00233664

    10. 1-methyl-4-nitro-5-chloro Imidazole

    11. S 50154-9

    12. P917jw98bd

    13. Nsc-7852

    14. Einecs 225-521-2

    15. Brn 0136775

    16. Unii-p917jw98bd

    17. Ai3-51948

    18. Nsc 7852

    19. Azathioprine Ep Impurity C

    20. Mls001049362

    21. Schembl3236045

    22. Chembl1610328

    23. Dtxsid00197646

    24. Nsc7852

    25. Hms2797b15

    26. Albb-010478

    27. Zinc1081474

    28. 5 Chloro-1-methyl-4-nitroimidazole

    29. Bbl012664

    30. Stk744422

    31. 5-chloro-1-methyl-4-nitro Imidazole

    32. Akos001116763

    33. Ds-0882

    34. Ncgc00246386-01

    35. Ac-11011

    36. Smr000427350

    37. Sy020982

    38. 5-chloro-1-methyl-4-nitroimidazole, 98%

    39. 5-chloro-1-methyl-4-nitro-1h-imidazole #

    40. Am20100205

    41. Azathioprine Impurity C [ep Impurity]

    42. C1646

    43. Cs-0144974

    44. Ft-0620216

    45. 5-chloro-1-methyl-4-nitroimidazole-[13c4]

    46. A(s50154-9)

    47. 897c250

    48. W-106034

    49. Q27286392

    50. 5-chloro-1-methyl-4-nitroimidazole 100 Microg/ml In Methanol

    51. 5-chloro-1-methyl-4-nitro-1h-imidazole; Azathioprine Bp Impurity C

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 161.55 g/mol
    Molecular Formula C4H4ClN3O2
    XLogP30.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass160.9992041 g/mol
    Monoisotopic Mass160.9992041 g/mol
    Topological Polar Surface Area63.6 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity148
    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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