CAS 69604-00-8

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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

CAS 69604-00-8

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 Formula	C₁₁H₉NO₅
Molecular Weight	235.19 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	85.3
Heavy Atom Count	17
Formal Charge	0
Complexity	313
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