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CAS 105627-79-0
PharmaCompass
  • Chemistry
CAS 105627-79-0
Also known as: 105627-79-0, Isoquinoline-5-sulphonyl chloride hydrochloride, Isoquinoline-5-sulfonyl chloride hcl, 5-isoquinolinesulfonyl chloride hydrochloride, 5-isoquinolinesulfonylchloride, hydrochloride (1:1), Sbb055046
Molecular Formula
C9H7Cl2NO2S
Molecular Weight
264.12  g/mol
InChI Key
GZQNTWHQJJVIAK-UHFFFAOYSA-N

1 2D Structure

CAS 105627-79-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
isoquinoline-5-sulfonyl chloride;hydrochloride
2.1.2 InChI
InChI=1S/C9H6ClNO2S.ClH/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9;/h1-6H;1H
2.1.3 InChI Key
GZQNTWHQJJVIAK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 105627-79-0

2. Isoquinoline-5-sulphonyl Chloride Hydrochloride

3. Isoquinoline-5-sulfonyl Chloride Hcl

4. 5-isoquinolinesulfonyl Chloride Hydrochloride

5. 5-isoquinolinesulfonylchloride, Hydrochloride (1:1)

6. Sbb055046

7. 5-isoquinolinesulfonyl Chloride, Hydrochloride

8. Isoquinoline-5-sulfonyl Chloride, Hydrochloride

9. Mfcd08272853

10. Zlchem 500

11. Ac1q3bjg

12. Acmc-1bov3

13. C9h7cl2no2s

14. Schembl987360

15. Ctk0h3910

16. Dtxsid70519255

17. Zlc0365

18. Gzqntwhqjjviak-uhfffaoysa-n

19. Molport-001-770-757

20. 5-isoquinolinesulfonyl Chloride.hcl

21. Act03708

22. Anw-42411

23. Chloro-5-isoquinolylsulfone, Chloride

24. Ci-278

25. Akos015897027

26. Ac-8863

27. An-7607

28. Ls21043

29. Rp06382

30. Ak-46359

31. As-19483

32. At-18413

33. Bl003874

34. En000679

35. Kb-69998

36. Sc-49878

37. Ab0034590

38. Kb-254573

39. Rt-013376

40. 5-(chlorosulphonyl)isoquinoline Hydrochloride

41. Ft-0656691

42. Isoquinoline-5-sulfonylchloride Hydrochloride

43. St24030810

44. X8768

45. En300-42641

46. B-6357

47. Isoquinolin-5-ylsulphonyl Chloride Hydrochloride

48. A801283

49. A840796

50. I08-0286

51. Isoquinoline-5-sulfonyl Chloride, Hydrochloride, Aldrichcpr

52. Isoquinoline-5-sulfonyl Chloride--hydrogen Chloride (1/1)

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 264.12 g/mol
Molecular Formula C9H7Cl2NO2S
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass262.957 g/mol
Monoisotopic Mass262.957 g/mol
Topological Polar Surface Area55.4 A^2
Heavy Atom Count15
Formal Charge0
Complexity298
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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