CAS 2075-45-8

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20 Related Intermediates

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Also known as: 4-bromopyrazole, 2075-45-8, 1h-pyrazole, 4-bromo-, 4-bromo-pyrazole, 4-brompyrazole, Pyrazole, 4-bromo-

Molecular Formula

C₃H₃BrN₂

Molecular Weight

146.97 g/mol

InChI Key

WVGCPEDBFHEHEZ-UHFFFAOYSA-N

FDA UNII

JCB5VB9RTA

1 2D Structure

CAS 2075-45-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-bromo-1H-pyrazole

2.1.2 InChI

InChI=1S/C3H3BrN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

2.1.3 InChI Key

WVGCPEDBFHEHEZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=NN1)Br

2.2 Other Identifiers

2.2.1 UNII

JCB5VB9RTA

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-bromopyrazole

2.3.2 Depositor-Supplied Synonyms

1. 4-bromopyrazole

2. 2075-45-8

3. 1h-pyrazole, 4-bromo-

4. 4-bromo-pyrazole

5. 4-brompyrazole

6. Pyrazole, 4-bromo-

7. 4-bromo Pyrazole

8. Mfcd00075602

9. Nsc-522023

10. Nsc 522023

11. Brn 0106510

12. Byz

13. Jcb5vb9rta

14. 4-bromo-1-h-pyrazole

15. 4-bromopyrazole, 99%

16. Wln: T5mnj De

17. Schembl10169

18. 5-23-04-00172 (beilstein Handbook Reference)

19. Chembl4440111

20. Dtxsid50174826

21. Act01778

22. Albb-000287

23. Amy12221

24. Nsc522023

25. Stk301300

26. Akos000304500

27. Ab02892

28. Ac-2709

29. As-5543

30. Cs-w009265

31. Bp-21496

32. Sy002635

33. A4505

34. Am20090168

35. B3745

36. Bb 0240301

37. Ft-0601793

38. Ft-0663871

39. En300-50991

40. Ac-907/25014004

41. J-013590

42. Q27458577

43. F0001-0740

44. Z275169750

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃H₃BrN₂
Molecular Weight	146.97 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	28.7
Heavy Atom Count	6
Formal Charge	0
Complexity	48.1
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