CAS 4270-27-3

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3 End Use APIs
27 Related Intermediates

Chemistry

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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

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 Formula	C₄H₃ClN₂O₂
Molecular Weight	146.53 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	145.9883050 g/mol
Monoisotopic Mass	145.9883050 g/mol
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	199
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1