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Overview of 24430-27-1

Client Email Product
4CH-011008
PharmaCompass
  • Chemistry
4CH-011008
Also known as: 24430-27-1, Thiophene, 3-bromo-2-nitro-, 3-bromo-2-nitro thiophene, 2-nitro-3-bromothiophene, Pubchem15352, Ac1q1wtw
Molecular Formula
C4H2BrNO2S
Molecular Weight
208.04  g/mol
InChI Key
UYIHKIRPUMUUJX-UHFFFAOYSA-N

1 2D Structure

4CH-011008

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-bromo-2-nitrothiophene
2.1.2 InChI
InChI=1S/C4H2BrNO2S/c5-3-1-2-9-4(3)6(7)8/h1-2H
2.1.3 InChI Key
UYIHKIRPUMUUJX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CSC(=C1Br)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 24430-27-1

2. Thiophene, 3-bromo-2-nitro-

3. 3-bromo-2-nitro Thiophene

4. 2-nitro-3-bromothiophene

5. Pubchem15352

6. Ac1q1wtw

7. Thiophene,3-bromo-2-nitro-

8. Schembl4582355

9. Ctk4f3657

10. Ks-00000pau

11. Dtxsid40360913

12. Uyihkirpumuujx-uhfffaoysa-n

13. Zinc967480

14. Bcp27038

15. Anw-53820

16. Mfcd04971288

17. Sbb093962

18. Akos000280797

19. Cs-w021858

20. Mcule-2392861145

21. Qc-6760

22. Rp26382

23. Rp26383

24. Wt82305

25. Aj-24514

26. Ak-98663

27. Bc004001

28. Bc210038

29. Ds-18656

30. Sc-28317

31. Sy043196

32. Ab0093406

33. Db-000887

34. Tc-062989

35. Tl8006907

36. 4ch-011008

37. A5033

38. Ft-0715898

39. St24022723

40. Z5492

41. En300-36967

42. Mfcd04971288 (98%)

43. K-6551

44. Ai-472/32219036

45. I09-1436

46. J-511891

47. F2167-0047

2.3 Create Date
2005-07-10
3 Chemical and Physical Properties
Molecular Weight 208.04 g/mol
Molecular Formula C4H2BrNO2S
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass206.89896 g/mol
Monoisotopic Mass206.89896 g/mol
Topological Polar Surface Area74.1 A^2
Heavy Atom Count9
Formal Charge0
Complexity126
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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