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Also known as: 2927-71-1, 2,4-dichloro-5-fluoro-pyrimidine, 5-fluoro-2,4-dichloropyrimidine, Pyrimidine, 2,4-dichloro-5-fluoro-, Mfcd00233551, 2,4-dichloro-5-fluoro pyrimidine
Molecular Formula
C4HCl2FN2
Molecular Weight
166.97  g/mol
InChI Key
WHPFEQUEHBULBW-UHFFFAOYSA-N

CAS 2927-71-1
1 2D Structure

CAS 2927-71-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,4-dichloro-5-fluoropyrimidine
2.1.2 InChI
InChI=1S/C4HCl2FN2/c5-3-2(7)1-8-4(6)9-3/h1H
2.1.3 InChI Key
WHPFEQUEHBULBW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C(=NC(=N1)Cl)Cl)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2927-71-1

2. 2,4-dichloro-5-fluoro-pyrimidine

3. 5-fluoro-2,4-dichloropyrimidine

4. Pyrimidine, 2,4-dichloro-5-fluoro-

5. Mfcd00233551

6. 2,4-dichloro-5-fluoro Pyrimidine

7. C4hcl2fn2

8. Nsc70442

9. Nciopen2_000539

10. Schembl190657

11. 2,4-dichloro-5fluoropyrimidine

12. 2,4dichloro-5-fluoropyrimidine

13. 2,4-dichloro-5-fluoropyrmidine

14. 5-fluoro-2,6-dichloropyrimidine

15. 2.4-dichloro-5-fluoropyrimidine

16. Dtxsid00290702

17. 5-fluoro-2,4-dichloro-pyrimidine

18. Act01407

19. Albb-014452

20. Bcp27469

21. Zinc1696262

22. Bbl028442

23. Nsc 70442

24. Nsc-70442

25. Stk783765

26. Akos002665246

27. Ab05035

28. Ac-2990

29. Cs-w008648

30. Gs-6791

31. 2,4-dichloro-5-fluoropyrimidine, 97%

32. 2,6-dichloro-5-fluoropyrimidine

33. 2 Pound Not4-dichloro-5-fluoropyrimidine

34. Sy003504

35. Db-010224

36. Am20090386

37. D3374

38. Ft-0630162

39. Ft-0699076

40. En300-25797

41. 927d711

42. W-202221

43. F2108-0226

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 166.97 g/mol
Molecular Formula C4HCl2FN2
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass165.9500816 g/mol
Monoisotopic Mass165.9500816 g/mol
Topological Polar Surface Area25.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity103
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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