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CAS 5538-51-2 manufacturers and suppliers on PharmaCompass

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CAS 5538-51-2
Also known as: 5538-51-2, O-acetylsalicyloyl chloride, 2-(chlorocarbonyl)phenyl acetate, Acetylsalicyloyl chloride, (2-carbonochloridoylphenyl) acetate, Benzoyl chloride, 2-(acetyloxy)-
Molecular Formula
C9H7ClO3
Molecular Weight
198.60  g/mol
InChI Key
DSGKWFGEUBCEIE-UHFFFAOYSA-N
FDA UNII
67R3L2L9J7

1 2D Structure

CAS 5538-51-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-carbonochloridoylphenyl) acetate
2.1.2 InChI
InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3
2.1.3 InChI Key
DSGKWFGEUBCEIE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)OC1=CC=CC=C1C(=O)Cl
2.2 Other Identifiers
2.2.1 UNII
67R3L2L9J7
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5538-51-2

2. O-acetylsalicyloyl Chloride

3. 2-(chlorocarbonyl)phenyl Acetate

4. Acetylsalicyloyl Chloride

5. (2-carbonochloridoylphenyl) Acetate

6. Benzoyl Chloride, 2-(acetyloxy)-

7. Acetylsalicoyl Chloride

8. 67r3l2l9j7

9. Nsc-97216

10. O-acetylsalicyloylchloride

11. Aspirin Chloride

12. O-acetylsalicylryl Chloride

13. Einecs 226-899-1

14. Nsc 97216

15. Ascc

16. Acetylsalicylic Chloride

17. O-acetoxybenzoylchloride

18. Acetylsalicylsaurechlorid

19. 2-acetoxybenzoylchloride

20. O-acetoxybenzoyl Chloride

21. O-acetylsalicoyl Chloride

22. Acetyl Salicyloyl Chloride

23. Acetyl-salicyloyl Chloride

24. 2-acetoxy Benzoyl Chloride

25. Acetylsalicylic Acid Chloride

26. Acetyl Salicylic Acid Chloride

27. 2-(acetyloxy)benzoyl Chloride

28. Schembl133699

29. Unii-67r3l2l9j7

30. 2-acetoxybenzoic Acid Chloride

31. Acetyl Salicyclic Acid Chloride

32. Acetylsalicycloyl Chloride

33. Dtxsid10203924

34. 2-(chlorocarbonyl)-phenyl Acetate

35. O-acetylsalicyloyl Chloride, 95%

36. 2-(chlorocarbonyl)phenyl Acetate #

37. Amy15535

38. Nsc97216

39. Zinc1627238

40. Mfcd00000663

41. Akos000276274

42. Bs-44104

43. Db-020320

44. Ft-0635765

45. D88484

46. W-105567

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 198.60 g/mol
Molecular Formula C9H7ClO3
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass198.0083718 g/mol
Monoisotopic Mass198.0083718 g/mol
Topological Polar Surface Area43.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity215
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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