CAS 10297-73-1

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38 Related Intermediates

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Also known as: 10297-73-1, 1-(4-(methylsulfonyl)phenyl)ethanone, 4-methylsulfonylacetophenone, 4-(methylsulfonyl)acetophenone, 1-(4-methylsulfonylphenyl)ethanone, 4-methylsulphonylacetophenone

Molecular Formula

C₉H₁₀O₃S

Molecular Weight

198.24 g/mol

InChI Key

KAVZYDHKJNABPC-UHFFFAOYSA-N

FDA UNII

9D65F147ZN

1 2D Structure

CAS 10297-73-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-methylsulfonylphenyl)ethanone

2.1.2 InChI

InChI=1S/C9H10O3S/c1-7(10)8-3-5-9(6-4-8)13(2,11)12/h3-6H,1-2H3

2.1.3 InChI Key

KAVZYDHKJNABPC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)C

2.2 Other Identifiers

2.2.1 UNII

9D65F147ZN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 10297-73-1

2. 1-(4-(methylsulfonyl)phenyl)ethanone

3. 4-methylsulfonylacetophenone

4. 4-(methylsulfonyl)acetophenone

5. 1-(4-methylsulfonylphenyl)ethanone

6. 4-methylsulphonylacetophenone

7. 4-acetylphenyl Methyl Sulphone

8. 4-(methylsulphonyl)acetophenone

9. P-methylsulfonylacetophenone

10. 1-(4-methanesulfonyl-phenyl)-ethanone

11. Ethanone, 1-[4-(methylsulfonyl)phenyl]-

12. 1-(4-(methylsulphonyl)phenyl)ethan-1-one

13. 1-[4-(methylsulfonyl)phenyl]ethanone

14. 4-methanesulfonylacetophenone

15. 1-[4-(methylsulfonyl)phenyl]-1-ethanone

16. 1-[4-(methylsulfonyl)phenyl]ethan-1-one

17. 9d65f147zn

18. Mfcd00025072

19. Nsc-403928

20. 4-(methyl Sulfonyl) Acetophenone

21. 4'-methylsulfonylacetophenone

22. Unii-9d65f147zn

23. Einecs 233-672-0

24. Nsc403928

25. 1-(4-methanesulfonylphenyl)ethan-1-one

26. 4(methylsulfonyl)acetophenone

27. 4-methylsulfonyl Acetophenone

28. 4-methylsulfonyl-acetophenone

29. Schembl28229

30. 4-acetophenone Methyl Sulfone

31. Chembl41043

32. 4'-methylsulfonyl Acetophenone

33. 4-(methylsulfonyl) Acetophenone

34. 4`-(methylsulfonyl)acetophenone

35. 4'-(methylsulphonyl)acetophenone

36. 4\'-(methylsulfonyl)acetophenone

37. Dtxsid70145593

38. Zinc153497

39. (4-methanesulphonylphenyl)-ethanone

40. Act00997

41. Cs-d1688

42. Etoricoxib Related Compound A

43. P-acetylphenyl Methyl Sulfone

44. Stl166134

45. Akos001081732

46. 4'-(methylsulfonyl)acetophenone, 97%

47. Ab01457

48. Ac-6694

49. Ethanone, 1-(4-methylsulfonylphenyl)-

50. Nsc 403928

51. 1-[4-(methylsulfonyl)phenyl]ethanone #

52. Sy012991

53. Db-040399

54. Am20061182

55. Ft-0616803

56. M1678

57. 1-(4-(methylsulfonyl)phenyl)-ethanone

58. 297m731

59. 9w-0290

60. J-802121

61. W-108861

62. Q27272383

63. 4 Inverted Exclamation Mark -(methylsulfonyl)acetophenone

64. Etoricoxib Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₀O₃S
Molecular Weight	198.24 g/mol
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	59.6
Heavy Atom Count	13
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1