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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

CAS 4270-27-3
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

BUILDING BLOCK

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