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2D Structure
Also known as: 2-amino-4-chlorobenzoic acid, 89-77-0, Benzoic acid, 2-amino-4-chloro-, Anthranilic acid, 4-chloro-, 4-chloroanthranil acid, Einecs 201-938-5
Molecular Formula
C7H6ClNO2
Molecular Weight
171.58  g/mol
InChI Key
JYYLQSCZISREGY-UHFFFAOYSA-N
FDA UNII
G55K85R12H

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-4-chlorobenzoic acid
2.1.2 InChI
InChI=1S/C7H6ClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11)
2.1.3 InChI Key
JYYLQSCZISREGY-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
G55K85R12H
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-amino-4-chlorobenzoic Acid

2. 4caba Cpd

2.3.2 Depositor-Supplied Synonyms

1. 2-amino-4-chlorobenzoic Acid

2. 89-77-0

3. Benzoic Acid, 2-amino-4-chloro-

4. Anthranilic Acid, 4-chloro-

5. 4-chloroanthranil Acid

6. Einecs 201-938-5

7. Brn 0743349

8. Ai3-52450

9. G55k85r12h

10. Nsc-17188

11. Dtxsid80237473

12. 4-14-00-01072 (beilstein Handbook Reference)

13. Nsc 17188

14. 4caba Cpd

15. Dtxcid80159964

16. Inchi=1/c7h6clno2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3h,9h2,(h,10,11

17. Mfcd00007778

18. 4-chloro Anthranilic Acid

19. 4-chloro-2-aminobenzoic Acid

20. Unii-g55k85r12h

21. 2-amino-4-chloro-benzoic Acid

22. 2-amino-4-chlorobenzoicacid

23. 4-chloroanthranilic Acid; 2-amino-4-chlorobenzoic Acid; 4-chloro-2-aminobenzoic Acid; 4-chloroanthranilic Acid; Nsc 17188

24. 2-amino-4-chlorobenzoic

25. 2-amino-4chlorobenzoic Acid

26. Bidd:gt0812

27. Schembl128885

28. 2-amino-4-chloro Benzoic Acid

29. 4-chloro-2-amino-benzoic Acid

30. Schembl1806571

31. 2-aminobenzoic Acid, 4-chloro-

32. Chebi:194581

33. 2-azanyl-4-chloranyl-benzoic Acid

34. Bcp30811

35. Cs-d1675

36. Nsc17188

37. Str01923

38. Sbb028134

39. Stl195536

40. 2-amino-4-chlorobenzoic Acid, 98%

41. Akos000119774

42. Ac-2458

43. Fc45151

44. Ps-4144

45. Sy001306

46. Db-030815

47. A0661

48. Ns00039342

49. St45054139

50. En300-19514

51. A811726

52. Q27278774

53. F2121-0038

54. Z104474094

55. 4-chloroanthranilic Acid;benzoic Acid, 2-amino-4-chloro-;4-chloro-2-aminobenzoic Acid

2.3.3 Other Synonyms

1. Cas 89-77-0

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 171.58 g/mol
Molecular Formula C7H6ClNO2
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area63.3
Heavy Atom Count11
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1