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2D Structure
Also known as: 69604-00-8, 69404-00-8, Ethyl 5-nitro-1-benzofuran-2-carboxylate, 2-benzofurancarboxylic acid, 5-nitro-, ethyl ester, 5-nitrobenzo[b]furan-2-carboxylic acid ethyl ester, Bwp4zd8wzf
Molecular Formula
C11H9NO5
Molecular Weight
235.19  g/mol
InChI Key
ATHBGWVHAWGMAL-UHFFFAOYSA-N
FDA UNII
BWP4ZD8WZF

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 5-nitro-1-benzofuran-2-carboxylate
2.1.2 InChI
InChI=1S/C11H9NO5/c1-2-16-11(13)10-6-7-5-8(12(14)15)3-4-9(7)17-10/h3-6H,2H2,1H3
2.1.3 InChI Key
ATHBGWVHAWGMAL-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
BWP4ZD8WZF
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 69604-00-8

2. 69404-00-8

3. Ethyl 5-nitro-1-benzofuran-2-carboxylate

4. 2-benzofurancarboxylic Acid, 5-nitro-, Ethyl Ester

5. 5-nitrobenzo[b]furan-2-carboxylic Acid Ethyl Ester

6. Bwp4zd8wzf

7. 5-nitrobenzofuran-2-carboxylic Acid Ethyl Ester

8. Mfcd00275272

9. Ethyl 5-nitrobenzo[b]furan-2-carboxylate

10. Ethyl5-nitrobenzofuran-2-carboxylate

11. Ethyl 5-nitrobenzo[d]furan-2-carboxylate

12. Unii-bwp4zd8wzf

13. Schembl2249264

14. Dtxsid50989694

15. Athbgwvhawgmal-uhfffaoysa-n

16. Bcp08877

17. Cs-m1104

18. Geo-01364

19. Ethyl-5-nitrobenzofuran-2-carboxylate

20. Akos005071959

21. Bb-0814

22. Ethyl 5-nitro-benzofuran-2-carboxylate

23. Ac-26406

24. Ethyl-5-nitro-1-benzofuran-2-carboxylate

25. Ethyl-5-nitrobenzo[b]furan-2-carboxylate

26. Sy024789

27. Db-074191

28. E0950

29. Ethyl 5-nitrobenzofuran-2-carboxylate, 97%

30. 2-benzofurancarboxylicacid,5-nitro-,ethyl Ester

31. I11522

32. 5-nitro-benzofuran-2-carboxylic Acid Ethyl Ester

2.4 Create Date
2005-07-11
3 Chemical and Physical Properties
Molecular Weight 235.19 g/mol
Molecular Formula C11H9NO5
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area85.3
Heavy Atom Count17
Formal Charge0
Complexity313
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1