CAS 403-29-2

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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

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 Formula	C₈H₆BrFO
Molecular Weight	217.03 g/mol
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	215.95861 g/mol
Monoisotopic Mass	215.95861 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	141
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

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