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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

CAS 5538-51-2
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

BUILDING BLOCK

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