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CAS 174775-48-5
PharmaCompass
CAS 174775-48-5
Also known as: 174775-48-5, Ethyl 5-amino-1-benzofuran-2-carboxylate, Ethyl 5-aminobenzo[b]furan-2-carboxylate, 2-benzofurancarboxylic acid, 5-amino-, ethyl ester, Sbb053980, 5-amino-2-(ethoxycarbonyl)-1-benzofuran
Molecular Formula
C11H11NO3
Molecular Weight
205.213  g/mol
InChI Key
YFFLLDHEEWSHQG-UHFFFAOYSA-N

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 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 174775-48-5

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

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

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

5. Sbb053980

6. 5-amino-2-(ethoxycarbonyl)-1-benzofuran

7. Ak-45320

8. 5-aminobenzofuran-2-carboxylic Acid Ethyl Ester

9. 5-amino-benzofuran-2-carboxylic Acid Ethyl Ester

10. Ethyl 5-aminobenzo[d]furan-2-carboxylate

11. Pubchem23808

12. Ethylaminobenzofurancarboxylate

13. Ksc494o5f

14. Schembl2255398

15. Ctk3j4752

16. Dtxsid60431558

17. Molport-001-770-435

18. Yfflldheewshqg-uhfffaoysa-n

19. Cs-m1412

20. Zx-at000190

21. Anw-45651

22. Mfcd08275091

23. Or8508

24. Wt2071

25. Zinc12336529

26. Ethyl 5-amino-2-benzofurancarboxylate

27. Akos005072009

28. Am84613

29. Cb-0818

30. Ls40931

31. Mcule-2406800244

32. Pb17511

33. Qc-1476

34. Rp11946

35. Rtr-007772

36. Ac-25876

37. Aj-60946

38. Cj-13767

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

40. He044269

41. He318575

42. Kb-77154

43. Ab0030912

44. Ax8129055

45. Db-064972

46. Tr-007772

47. E1138

48. Ft-0680785

49. St24030637

50. St50949762

51. X3184

52. Ethyl 5-amino-1-benzo[b]furan-2-carboxylate

53. Q-1108

54. 2-benzofurancarboxylicacid,5-amino-,ethylester(9ci)

55. I14-4976

56. J-521106

57. 174775-48-5 Ethyl 5-aminobenzofuran-2-carboxylate

58. Ethyl 5-aminobenzo[b]furan-2-carboxylate,97%

59. 5-amino-2-benzofurancarboxylic Acid Ethyl Ester

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 205.213 g/mol
Molecular Formula C11H11NO3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass205.074 g/mol
Monoisotopic Mass205.074 g/mol
Topological Polar Surface Area65.5 A^2
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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