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CAS 137234-74-3
PharmaCompass
CAS 137234-74-3
Also known as: 137234-74-3, Pyrimidine, 4-chloro-6-ethyl-5-fluoro-, 4-chloro-6-ethyl-5-fluoro-pyrimidine, 4-chloro-5-fluoro-6-ethylpyrimidine, Pubchem7037, Acmc-1bzf7
Molecular Formula
C6H6ClFN2
Molecular Weight
160.576  g/mol
InChI Key
LKTGVRWVTAJGMS-UHFFFAOYSA-N

1 2D Structure

CAS 137234-74-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-6-ethyl-5-fluoropyrimidine
2.1.2 InChI
InChI=1S/C6H6ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h3H,2H2,1H3
2.1.3 InChI Key
LKTGVRWVTAJGMS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=C(C(=NC=N1)Cl)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 137234-74-3

2. Pyrimidine, 4-chloro-6-ethyl-5-fluoro-

3. 4-chloro-6-ethyl-5-fluoro-pyrimidine

4. 4-chloro-5-fluoro-6-ethylpyrimidine

5. Pubchem7037

6. Acmc-1bzf7

7. Ksc174s6p

8. Schembl372414

9. Jsp002244

10. Ctk0h4967

11. Dtxsid30587753

12. Lktgvrwvtajgms-uhfffaoysa-n

13. Molport-003-984-444

14. Act01620

15. Cs-b1291

16. Ebd51273

17. Anw-20220

18. Cc0104

19. Mfcd07782087

20. Zinc19615494

21. Akos005063655

22. Ac-4747

23. An-5533

24. Cc-1107

25. Cm14143

26. Ls20306

27. Pb10473

28. Rp22369

29. Rtc-064151

30. Tra0013718

31. Aj-73988

32. Ak-47637

33. As-15052

34. Bc650913

35. Br-47637

36. Cj-16200

37. Hc210045

38. He001218

39. Kb-38065

40. N765

41. Sc-00950

42. Sy011522

43. Ab0016025

44. Db-042382

45. Tc-064151

46. Tl8000859

47. 4ch-003142

48. Ft-0643264

49. St24032784

50. St51052537

51. A-3443

52. 4-chloro-6-ethyl-5-fluoropyrimidine, Aldrichcpr

53. 234c743

54. Q-102789

55. F0001-0470

2.3 Create Date
2007-10-09
3 Chemical and Physical Properties
Molecular Weight 160.576 g/mol
Molecular Formula C6H6ClFN2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass160.02 g/mol
Monoisotopic Mass160.02 g/mol
Topological Polar Surface Area25.8 A^2
Heavy Atom Count10
Formal Charge0
Complexity112
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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