CAS 36082-50-5

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Chemistry

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Also known as: 36082-50-5, 5-bromo-2,4-dichloro-pyrimidine, 2,4-dichloro-5-bromopyrimidine, 2,4-dichloro-5-bromo pyrimidine, Pyrimidine, 5-bromo-2,4-dichloro-, Mfcd00127818

Molecular Formula

C₄HBrCl₂N₂

Molecular Weight

227.87 g/mol

InChI Key

SIKXIUWKPGWBBF-UHFFFAOYSA-N

1 2D Structure

CAS 36082-50-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-2,4-dichloropyrimidine

2.1.2 InChI

InChI=1S/C4HBrCl2N2/c5-2-1-8-4(7)9-3(2)6/h1H

2.1.3 InChI Key

SIKXIUWKPGWBBF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=NC(=N1)Cl)Cl)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 36082-50-5

2. 5-bromo-2,4-dichloro-pyrimidine

3. 2,4-dichloro-5-bromopyrimidine

4. 2,4-dichloro-5-bromo Pyrimidine

5. Pyrimidine, 5-bromo-2,4-dichloro-

6. Mfcd00127818

7. Nsc152517

8. Schembl217854

9. 5-bromo-2,4dichloropyrimidine

10. Discontinued, See D433775

11. 5-bromo-2,4-dichlorpyrimidine

12. 2,6-dichloro-5-bromopyrimidine

13. 5-bromo-2,4dichloro-pyrimidine

14. Sikxiuwkpgwbbf-uhfffaoysa-

15. 5-bromo 2,4-dichloro-pyrimidine

16. 5-bromo-2, 4-dichloropyrimidine

17. Dtxsid40302656

18. Act01288

19. Bcp22990

20. Cs-d1117

21. Zinc1559999

22. Akos002663027

23. Ab03550

24. Ac-3063

25. Nsc 152517

26. Nsc-152517

27. Ps-6296

28. Wt82227

29. 5-bromo-2,4-dichloropyrimidine, 97%

30. 5-bromanyl-2,4-bis(chloranyl)pyrimidine

31. Db-013968

32. A6265

33. Am20090573

34. B2823

35. Ft-0620073

36. Ft-0700569

37. 082b505

38. A823117

39. Af-399/25108039

40. W-202499

41. F2108-0250

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄HBrCl₂N₂
Molecular Weight	227.87 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	225.87002 g/mol
Monoisotopic Mass	225.87002 g/mol
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	103
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