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CAS 89-54-3
Also known as: 89-54-3, 2-chloro-5-aminobenzoic acid, Benzoic acid, 5-amino-2-chloro-, 5-amino-2-chloro-benzoic acid, 5-amino-2-chlorobenzoicacid, 3-amino-6-chlorobenzoic acid
Molecular Formula
C7H6ClNO2
Molecular Weight
171.58  g/mol
InChI Key
GVCFFVPEOLCYNN-UHFFFAOYSA-N

1 2D Structure

CAS 89-54-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-amino-2-chlorobenzoic acid
2.1.2 InChI
InChI=1S/C7H6ClNO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,9H2,(H,10,11)
2.1.3 InChI Key
GVCFFVPEOLCYNN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1N)C(=O)O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 89-54-3

2. 2-chloro-5-aminobenzoic Acid

3. Benzoic Acid, 5-amino-2-chloro-

4. 5-amino-2-chloro-benzoic Acid

5. 5-amino-2-chlorobenzoicacid

6. 3-amino-6-chlorobenzoic Acid

7. Mfcd00007845

8. 5-amino-2-chloro Benzoic Acid

9. 3-carboxy-4-chloroaniline

10. Nsc25172

11. Einecs 201-916-5

12. Nsc 25172

13. 6-chlor-3-aminobenzoesaure

14. Schembl81564

15. 2-chloro-5-amino Benzoic Acid

16. Dtxsid4058992

17. 2-chloro-5-(amino)benzoic Acid

18. Zinc152575

19. 2-amino-4-carboxy-5-chlorobenzene

20. 4-amino-2-carboxy-1-chlorobenzene

21. Act11896

22. Bcp24539

23. Ac8218

24. Bbl027662

25. Nsc-25172

26. Stk345955

27. 5-amino-2-chlorobenzoic Acid, 97%

28. Akos000109248

29. Cs-w017645

30. Gs-3035

31. Sy018051

32. Db-000370

33. Am20060233

34. Bb 0245792

35. Ft-0619976

36. 89a543

37. W-100372

38. 5-amino-2-chlorobenzoic Acid, 85%, Technical Grade

39. Z1741963844

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 171.58 g/mol
Molecular Formula C7H6ClNO2
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass171.0087061 g/mol
Monoisotopic Mass171.0087061 g/mol
Topological Polar Surface Area63.3 Ų
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
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