CAS 50413-24-6

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Also known as: 50413-24-6, 2-bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone, 2-bromo-1-(4-methylsulfonylphenyl)ethanone, 2-bromo-1-(4-methanesulfonyl-phenyl)-ethanone, 2-bromo-4'-(methylsulfonyl)acetophenone, Ethanone, 2-bromo-1-[4-(methylsulfonyl)phenyl]-

Molecular Formula

C₉H₉BrO₃S

Molecular Weight

277.14 g/mol

InChI Key

JOCMYOUZIDSYFO-UHFFFAOYSA-N

FDA UNII

VBF9OCP8XO

1 2D Structure

CAS 50413-24-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-1-(4-methylsulfonylphenyl)ethanone

2.1.2 InChI

InChI=1S/C9H9BrO3S/c1-14(12,13)8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3

2.1.3 InChI Key

JOCMYOUZIDSYFO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)CBr

2.2 Other Identifiers

2.2.1 UNII

VBF9OCP8XO

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 50413-24-6

2. 2-bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone

3. 2-bromo-1-(4-methylsulfonylphenyl)ethanone

4. 2-bromo-1-(4-methanesulfonyl-phenyl)-ethanone

5. 2-bromo-4'-(methylsulfonyl)acetophenone

6. Ethanone, 2-bromo-1-[4-(methylsulfonyl)phenyl]-

7. 2-bromo-1-[4-(methylsulfonyl)phenyl]ethanone

8. 4-(methylsulphonyl)phenacyl Bromide

9. Vbf9ocp8xo

10. 2-bromo-1-(4-methanesulfonylphenyl)ethan-1-one

11. P-methylsulfonylphenacyl Bromide

12. 2-bromo-1-(4-methanesulfonylphenyl)ethanone

13. Mfcd00673134

14. Ethanone, 2-bromo-1-(4-(methylsulfonyl)phenyl)-

15. Unii-vbf9ocp8xo

16. Schembl125350

17. 4-methylsulphonylphenacyl Bromide

18. Dtxsid10352845

19. 4-(methylsulfonyl)phenacyl Bromide

20. Bcp22643

21. 2-bromo-4'-methylsulfonylacetophenone

22. 2-bromo-4'-methanesulfonylacetophenone

23. Akos000210897

24. Sb37388

25. 2-bromo-4'-methylsulphonyl Acetophenone

26. 2-bromo-4'-(methylsulfonyl) Acetophenone

27. Ac-16484

28. Sy050818

29. Db-010944

30. 2bromo-1-(4-(methylsulfonyl)phenyl)ethanone

31. A7478

32. B2573

33. Cs-0186566

34. Ns00122592

35. 2-bromo-l-(4-(methylsulfonyl)phenyl)ethanone

36. En300-11685

37. 2-bromo-1-(4-(methylsulfonyl) Phenyl)ethanone

38. 2-bromo-1-(4-(methylsulfonyl)phenyl) Ethanone

39. 2-bromo-1-(4-methanesulphonylphenyl)-ethanone

40. D88941

41. 2-bromo-l-(4-(methylsulfonyl) Phenyl) Ethanone

42. 9w-0291

43. 2-bromo-1-[4-(methanesulfonyl)phenyl]ethan-1-one

44. J-508149

45. 2-bromo-1-(4-(methanesulfonyl)phenyl)ethanone

46. Z57980561

47. 2-bromo-1-[4-(methylsulfonyl)phenyl]-1-ethanone, Aldrichcpr

48. 2-bromo-4 Inverted Exclamation Mark -(methylsulfonyl)acetophenone

2.3.2 Other Synonyms

1. Cas No 50413-24-6

2. Bromomethylsulfonylphenylethanone

3. 2-bromo-1-(4-(methylsulfonyl)phenyl)-1-ethanone

2.4 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₉BrO₃S
Molecular Weight	277.14 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	59.6
Heavy Atom Count	14
Formal Charge	0
Complexity	297
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