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CAS 133-74-4
PharmaCompass
  • Chemistry
CAS 133-74-4
Also known as: 133-74-4, 2-amino-5-chlorobenzenesulphonic acid, 5-chloroorthanilic acid, Sbb051768, Ak-58133, A1-00104
Molecular Formula
C6H6ClNO3S
Molecular Weight
207.628  g/mol
InChI Key
ZCGVPUAAMCMLTM-UHFFFAOYSA-N

1 2D Structure

CAS 133-74-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-5-chlorobenzenesulfonic acid
2.1.2 InChI
InChI=1S/C6H6ClNO3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,8H2,(H,9,10,11)
2.1.3 InChI Key
ZCGVPUAAMCMLTM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Cl)S(=O)(=O)O)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 133-74-4

2. 2-amino-5-chlorobenzenesulphonic Acid

3. 5-chloroorthanilic Acid

4. Sbb051768

5. Ak-58133

6. A1-00104

7. Einecs 205-119-3

8. 4-chloroaniline-2-sulfonic Acid

9. Ac1l1rdp

10. Ac1q3lop

11. 4-chloro-2-sulphoaniline

12. P-chloranilin-o-sulfosaure

13. Schembl1755039

14. Ctk4b8779

15. Ks-00000kbi

16. Dtxsid80157900

17. P-chloroaniline-2-sulphonic Acid

18. Molport-001-758-962

19. Zcgvpuaamcmltm-uhfffaoysa-n

20. Zinc2041007

21. Zx-at000939

22. Anw-61883

23. Fc1022

24. Mfcd00035776

25. 2-amino-5-chloro-benzenesulfonic Acid

26. Akos015890848

27. Fch1323385

28. Mcule-4764917297

29. Or12580

30. Ps-8057

31. Benzenesulfonic Acid,2-amino-5-chloro-

32. 2-amino-5-chlorobenzene-1-sulfonic Acid

33. 2-azanyl-5-chloranyl-benzenesulfonic Acid

34. Aj-33263

35. An-43720

36. Or051429

37. Ab0056930

38. Ax8031783

39. Kb-167220

40. St2416415

41. Tx-016266

42. St50825556

43. Z4096

44. M-5782

45. 479a105

46. A806673

47. I01-7689

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 207.628 g/mol
Molecular Formula C6H6ClNO3S
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass206.976 g/mol
Monoisotopic Mass206.976 g/mol
Topological Polar Surface Area88.8 A^2
Heavy Atom Count12
Formal Charge0
Complexity248
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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