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Overview

Client Email Product
108282-38-8
PharmaCompass
108282-38-8
Also known as: 108282-38-8, 2-ethoxy-4-amino-5-chlorobenzoic acid, 4-amino-5-chloro-2-ethoxy benzoic acid, 4-amino-5-chloro-2-ethoxy-benzoic acid, Ak-25286, Benzoic acid, 4-amino-5-chloro-2-ethoxy-
Molecular Formula
C9H10ClNO3
Molecular Weight
215.63  g/mol
InChI Key
XWGYOMHQGQZRLC-UHFFFAOYSA-N

1 2D Structure

108282-38-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-amino-5-chloro-2-ethoxybenzoic acid
2.1.2 InChI
InChI=1S/C9H10ClNO3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4H,2,11H2,1H3,(H,12,13)
2.1.3 InChI Key
XWGYOMHQGQZRLC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=CC(=C(C=C1C(=O)O)Cl)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 108282-38-8

2. 2-ethoxy-4-amino-5-chlorobenzoic Acid

3. 4-amino-5-chloro-2-ethoxy Benzoic Acid

4. 4-amino-5-chloro-2-ethoxy-benzoic Acid

5. Ak-25286

6. Benzoic Acid, 4-amino-5-chloro-2-ethoxy-

7. Acmc-2098zl

8. Schembl99475

9. Ksc498c3r

10. Ctk3j8138

11. Ks-00000neb

12. Xwgyomhqgqzrlc-uhfffaoysa-

13. Dtxsid40441418

14. Xwgyomhqgqzrlc-uhfffaoysa-n

15. Bcp07327

16. Anw-15919

17. Ce-052

18. Zinc21297315

19. 2-ethoxy-4-amino5-chlorobenzoic Acid

20. Akos015888128

21. Cs-w014885

22. Fch1323636

23. Rl00343

24. Rp26927

25. 4-ammo-5-chloro-2-ethoxy Benzoic Acid

26. Tra-0183953

27. Aj-78103

28. An-33745

29. As-11809

30. Bc220842

31. Cc-17836

32. Sc-12595

33. Sy035527

34. 4-amino-5-chloro-2-ethoxy- Benzoic Acid

35. 4-azanyl-5-chloranyl-2-ethoxy-benzoic Acid

36. Ab0010797

37. Ax8008247

38. Db-030845

39. Rt-004258

40. St2405538

41. Tl8000276

42. Ft-0642648

43. Mfcd03840527 (97%)

44. M-2023

45. A801835

46. C-11546

47. 4-amino-5-chloro-2-ethoxybenzoic Acid, Aldrichcpr

48. I01-0223

49. Inchi=1/c9h10clno3/c1-2-14-8-4-7(11)6(10)3-5(8)9(12)13/h3-4h,2,11h2,1h3,(h,12,13)

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 215.63 g/mol
Molecular Formula C9H10ClNO3
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass215.034921 g/mol
Monoisotopic Mass215.034921 g/mol
Topological Polar Surface Area72.6
Heavy Atom Count14
Formal Charge0
Complexity212
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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