CAS 174775-48-5

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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 Formula	C₁₁H₁₁NO₃
Molecular Weight	205.21 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	205.07389321 g/mol
Monoisotopic Mass	205.07389321 g/mol
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	244
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