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    Technical details about CAS 90213-66-4, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 90213-66-4

    BUILDING BLOCK

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    2D Structure
    Also known as: 90213-66-4, 2,4-dichloro-1h-pyrrolo[2,3-d]pyrimidine, 2,6-dichloro-7-deazapurine, 2,4-dichloro-7h-pyrrolo2,3-dpyrimidine, 2,4-dichloro-7h-pyrrolo (2,3-d)pyrimidine, Tofacitinib impurity 08
    Molecular Formula
    C6H3Cl2N3
    Molecular Weight
    188.01  g/mol
    InChI Key
    GHXBPCSSQOKKGB-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine
    2.1.2 InChI
    InChI=1S/C6H3Cl2N3/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H,9,10,11)
    2.1.3 InChI Key
    GHXBPCSSQOKKGB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CNC2=C1C(=NC(=N2)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 90213-66-4

    2. 2,4-dichloro-1h-pyrrolo[2,3-d]pyrimidine

    3. 2,6-dichloro-7-deazapurine

    4. 2,4-dichloro-7h-pyrrolo2,3-dpyrimidine

    5. 2,4-dichloro-7h-pyrrolo (2,3-d)pyrimidine

    6. Tofacitinib Impurity 08

    7. Mfcd08059278

    8. 1h-pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-

    9. 2,4-dichloropyrrolo[2,3-d]pyrimidine

    10. 2,4-dichloro-7h-pyrrolo[2,3-d] Pyrimidine

    11. Schembl352433

    12. Dtxsid80556131

    13. Act01409

    14. Bcp00152

    15. Cs-b0455

    16. Bbl103561

    17. Cl3495

    18. Stl557371

    19. Zinc19045730

    20. Akos005256964

    21. Akos015907660

    22. Ac-4446

    23. Gs-6918

    24. Pb30992

    25. Ps-5648

    26. Sy003887

    27. Db-031958

    28. Am20120301

    29. Bb 0261034

    30. D4284

    31. Ft-0648212

    32. 2,4-di Chloro-7h-pyrrolo[2,3-d]pyrimidine

    33. 13d664

    34. 2,4-bis(chloranyl)-7h-pyrrolo[2,3-d]pyrimidine

    35. 2-trifluoromethyl-oxazolo[4,5-b]pyridine

    36. 213d664

    37. A843469

    38. A1-00635

    39. Q-103528

    40. 2,4-dichloro-7h-pyrrolo[2,3-d]pyrimidine, Aldrichcpr

    2.3 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 188.01 g/mol
    Molecular Formula C6H3Cl2N3
    XLogP32.6
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass186.9704025 g/mol
    Monoisotopic Mass186.9704025 g/mol
    Topological Polar Surface Area41.6 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity155
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1