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2D Structure
Also known as: 22037-28-1, Furan, 3-bromo-, .beta.-bromofuran, Beta-bromofuran, 3-bromo furan, 3-bromo-furan
Molecular Formula
C4H3BrO
Molecular Weight
146.97  g/mol
InChI Key
LXWLEQZDXOQZGW-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-bromofuran
2.1.2 InChI
InChI=1S/C4H3BrO/c5-4-1-2-6-3-4/h1-3H
2.1.3 InChI Key
LXWLEQZDXOQZGW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=COC=C1Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 22037-28-1

2. Furan, 3-bromo-

3. .beta.-bromofuran

4. Beta-bromofuran

5. 3-bromo Furan

6. 3-bromo-furan

7. Mfcd00005347

8. 3-bromofuran, 97%

9. Unii-yq2xt7ckm5

10. Yq2xt7ckm5

11. Schembl189186

12. Dtxsid10176508

13. Act01870

14. Bcp10263

15. Cs-d1724

16. Zinc2141003

17. Einecs 244-744-6

18. Akos005254386

19. Am81635

20. Ps-4249

21. Sb60919

22. Db-015990

23. Ft-0615222

24. 3-bromofuran Stabilized Over Calcium Carbonate

25. En300-70254

26. 037b281

27. J-640026

28. J-800028

29. Q4634122

30. W-108984

31. F0001-0778

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 146.97 g/mol
Molecular Formula C4H3BrO
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass145.93673 g/mol
Monoisotopic Mass145.93673 g/mol
Topological Polar Surface Area13.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity46.8
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1