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    CAS 4270-27-3

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    CAS 4270-27-3
    Also known as: 4270-27-3, 6-chloropyrimidine-2,4(1h,3h)-dione, 6-chloropyrimidine-2,4-diol, 107577-09-3, 4-chlorouracil, 6-chloro-1h-pyrimidine-2,4-dione
    Molecular Formula
    C4H3ClN2O2
    Molecular Weight
    146.53  g/mol
    InChI Key
    PKUFNWPSFCOSLU-UHFFFAOYSA-N
    1 2D Structure

    CAS 4270-27-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-chloro-1H-pyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C4H3ClN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
    2.1.3 InChI Key
    PKUFNWPSFCOSLU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(NC(=O)NC1=O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4270-27-3

    2. 6-chloropyrimidine-2,4(1h,3h)-dione

    3. 6-chloropyrimidine-2,4-diol

    4. 107577-09-3

    5. 4-chlorouracil

    6. 6-chloro-1h-pyrimidine-2,4-dione

    7. 6-chloro-2,4(1h,3h)-pyrimidinedione

    8. 2,4-pyrimidinediol, 6-chloro- (9ci)

    9. Mfcd00014595

    10. 6-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione

    11. 2,4(1h,3h)-pyrimidinedione, 6-chloro-

    12. 4-chloro-2,6-dihydroxypyrimidine

    13. 6-chloro-2,4-dihydroxypyrimidine

    14. 6-chloro-uracil

    15. 2,4-pyrimidinediol, 6-chloro-

    16. Einecs 224-258-0

    17. Nsc 43265

    18. Nsc 210419

    19. 4-chlorouracil, >=99%

    20. Schembl317622

    21. 6-chloropyrimidine-2,4-dione

    22. Schembl8639366

    23. Pkufnwpsfcoslu-uhfffaoysa-

    24. Dtxsid70195396

    25. Act05756

    26. Cs-b0829

    27. Nsc43265

    28. Zinc1494932

    29. Mfcd00090752

    30. Nsc-43265

    31. Nsc210419

    32. Stl191584

    33. Akos004910428

    34. 6-chloro-2,4(1h,3h)-pyrimidindione

    35. Nsc-210419

    36. Sb55682

    37. Sb57727

    38. 6-chloro-2,4-(1h,3h)-pyrimidinedione

    39. Ac-22512

    40. Da-36334

    41. Sy011542

    42. 6-chloro-2,4(1h,3h)-pyrimidinedione #

    43. Db-029286

    44. Am20100126

    45. Ft-0621096

    46. Ft-0742345

    47. 7k-912

    48. A18768

    49. F11244

    50. 270c273

    51. Ab-323/25048125

    52. W-106266

    53. F1923-0053

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 146.53 g/mol
    Molecular Formula C4H3ClN2O2
    XLogP3-0.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass145.9883050 g/mol
    Monoisotopic Mass145.9883050 g/mol
    Topological Polar Surface Area58.2 Ų
    Heavy Atom Count9
    Formal Charge0
    Complexity199
    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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