4CH-013997

1 2D Structure

4CH-013997

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 Formula	C₄H₃BrO
Molecular Weight	146.97 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	145.93673 g/mol
Monoisotopic Mass	145.93673 g/mol
Topological Polar Surface Area	13.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.8
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

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4CH-013997

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