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CAS 174775-48-5
Also known as: 174775-48-5, Ethyl 5-amino-1-benzofuran-2-carboxylate, 2-benzofurancarboxylic acid, 5-amino-, ethyl ester, Ethyl 5-aminobenzo[b]furan-2-carboxylate, Qna7k2k6rx, 5-aminobenzofuran-2-carboxylic acid ethyl ester
Molecular Formula
C11H11NO3
Molecular Weight
205.21  g/mol
InChI Key
YFFLLDHEEWSHQG-UHFFFAOYSA-N
FDA UNII
QNA7K2K6RX

1 2D Structure

CAS 174775-48-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl 5-amino-1-benzofuran-2-carboxylate
2.1.2 InChI
InChI=1S/C11H11NO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3
2.1.3 InChI Key
YFFLLDHEEWSHQG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N
2.2 Other Identifiers
2.2.1 UNII
QNA7K2K6RX
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 174775-48-5

2. Ethyl 5-amino-1-benzofuran-2-carboxylate

3. 2-benzofurancarboxylic Acid, 5-amino-, Ethyl Ester

4. Ethyl 5-aminobenzo[b]furan-2-carboxylate

5. Qna7k2k6rx

6. 5-aminobenzofuran-2-carboxylic Acid Ethyl Ester

7. Ethyl-5-amino-1-benzofuran-2-carboxylate

8. Unii-qna7k2k6rx

9. Schembl2255398

10. Dtxsid60431558

11. Bcp12350

12. Cs-m1412

13. Mfcd08275091

14. Zinc12336529

15. Ethyl 5-amino-2-benzofurancarboxylate

16. Akos005072009

17. Am84613

18. Cb-0818

19. Pb17511

20. Ac-25876

21. Db-064972

22. Ethyl5-aminobenzofuran-2-carboxylate

23. E1138

24. Ft-0680785

25. P10580

26. 2-benzofurancarboxylicacid,5-amino-,ethylester(9ci)

27. J-521106

28. 5-amino-benzofuran-2-carboxylic Acid Ethyl Ester

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 205.21 g/mol
Molecular Formula C11H11NO3
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass205.07389321 g/mol
Monoisotopic Mass205.07389321 g/mol
Topological Polar Surface Area65.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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