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Also known as: 24430-27-1, Thiophene, 3-bromo-2-nitro-, Mfcd04971288, 3-bromo-2-nitro thiophene, 2-nitro-3-bromothiophene, Thiophene,3-bromo-2-nitro-
Molecular Formula
C4H2BrNO2S
Molecular Weight
208.04  g/mol
InChI Key
UYIHKIRPUMUUJX-UHFFFAOYSA-N

24430-27-1
1 2D Structure

24430-27-1

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. Mfcd04971288

4. 3-bromo-2-nitro Thiophene

5. 2-nitro-3-bromothiophene

6. Thiophene,3-bromo-2-nitro-

7. Schembl4582355

8. Dtxsid40360913

9. Zinc967480

10. Bcp27038

11. Am9775

12. Akos000280797

13. Cs-w021858

14. Wt82305

15. Ds-18656

16. Sy043196

17. Db-000887

18. A5033

19. Ft-0715898

20. En300-36967

21. F15010

22. Ai-472/32219036

23. J-511891

24. 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 Ų
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

BUILDING BLOCK

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