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Also known as: 403-29-2, 2-bromo-4'-fluoroacetophenone, 4-fluorophenacyl bromide, 2-bromo-1-(4-fluorophenyl)ethan-1-one, P-fluorophenacyl bromide, Ethanone, 2-bromo-1-(4-fluorophenyl)-
Molecular Formula
C8H6BrFO
Molecular Weight
217.03  g/mol
InChI Key
ZJFWCELATJMDNO-UHFFFAOYSA-N

CAS 403-29-2
1 2D Structure

CAS 403-29-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromo-1-(4-fluorophenyl)ethanone
2.1.2 InChI
InChI=1S/C8H6BrFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
2.1.3 InChI Key
ZJFWCELATJMDNO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C(=O)CBr)F
2.2 Synonyms
2.2.1 MeSH Synonyms

1. (18f) 4-fluorophenacyl Bromide

2. 4-fluorophenacyl Bromide

2.2.2 Depositor-Supplied Synonyms

1. 403-29-2

2. 2-bromo-4'-fluoroacetophenone

3. 4-fluorophenacyl Bromide

4. 2-bromo-1-(4-fluorophenyl)ethan-1-one

5. P-fluorophenacyl Bromide

6. Ethanone, 2-bromo-1-(4-fluorophenyl)-

7. 4-fluorophenacylbromide

8. Bromo-4-fluoroacetophenone

9. Mfcd00040830

10. 4'-fluoro-2-bromoacetophenone

11. Chembl317046

12. Acetophenone, 2-bromo-4'-fluoro-

13. 2-bromo-1-(4-fluoro-phenyl)-ethanone

14. Alpha-bromo-4-fluoroacetophenone

15. 2'-bromo-4-fluoroacetophenone

16. Einecs 206-955-1

17. P-fluorophenacylbromide

18. Unii-n3pvv2gvq8

19. N3pvv2gvq8

20. A-bromo-4-fluoroacetophenone

21. 2-bromo-4'fluoroacetophenone

22. 2-bromo4'-fluoroacetophenone

23. Schembl120278

24. 2-bromo-4' Fluoroacetophenone

25. 2-bromo-4'-fluoro-acetophenone

26. 2-bromo-4'-fluoroaceto-phenone

27. 2-bromo-4\'-fluoroacetophenone

28. Dtxsid20193307

29. Alpha-bromo-4'-fluoroacetophenone

30. Zinc152861

31. .omega.-bromo-4-fluoroacetophenone

32. Nsc88343

33. 2-bromo-(4-fluoro-phenyl) Ethanone

34. Bdbm50119681

35. Nsc 88343

36. Nsc-88343

37. Stk208492

38. 2-bromo-1-(4-fluoro-phenyl)ethanone

39. 2-bromo-1-(4-fluorophenyl) Ethanone

40. 2-bromo-1-(4-fluorophenyl)-ethanone

41. 2-bromo-4'-fluoroacetophenone, 97%

42. Akos000210841

43. Cs-w009314

44. 2-bromo-1-(4-fluorophenyl)ethanone #

45. N-cyanopyridine-4-carboximidamide

46. 2-bromo-1-(4-fluorophenyl)ethane-1-one

47. Ac-14103

48. Bp-20114

49. 2-bromo-1-(4-fluorophenyl) Ethan-1-one

50. Db-010960

51. A6751

52. Am20040414

53. B2382

54. Bb 0221162

55. Ft-0611446

56. En300-21388

57. W-106364

58. F0001-1141

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 217.03 g/mol
Molecular Formula C8H6BrFO
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass215.95861 g/mol
Monoisotopic Mass215.95861 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity141
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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