Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 2142-63-4, M-bromoacetophenone, 1-(3-bromophenyl)ethanone, 1-(3-bromophenyl)ethan-1-one, Ethanone, 1-(3-bromophenyl)-, 3-bromoacetophenone
Molecular Formula
C8H7BrO
Molecular Weight
199.04  g/mol
InChI Key
JYAQYXOVOHJRCS-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(3-bromophenyl)ethanone
2.1.2 InChI
InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
2.1.3 InChI Key
JYAQYXOVOHJRCS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(=O)C1=CC(=CC=C1)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2142-63-4

2. M-bromoacetophenone

3. 1-(3-bromophenyl)ethanone

4. 1-(3-bromophenyl)ethan-1-one

5. Ethanone, 1-(3-bromophenyl)-

6. 3-bromoacetophenone

7. 3-bromo Acetophenone

8. 1-(3-bromo-phenyl)-ethanone

9. Acetophenone, 3'-bromo-

10. Mfcd00000083

11. 1-acetyl-3-bromobenzene

12. Nsc 46620

13. Bromoacetophenone-3

14. 3'-bromo Acetophenone

15. Nsc46620

16. 3`-bromoacetophenone

17. 3'-bromo-acetophenone

18. (3-bromophenyl)ethanone

19. M-bromophenyl Methyl Ketone

20. Schembl3169

21. 1-(3-bromophenyl)-ethanone

22. (3-bromophenyl)methyl Ketone

23. 3'-bromoacetophenone,

24. 1-(3-bromophenyl)ethanone #

25. Ambz0268

26. Dtxsid40870941

27. Zinc167233

28. Act01193

29. Str01011

30. Einecs 218-396-0

31. Nsc-46620

32. Stl264115

33. Akos000119026

34. Cs-w009131

35. Ps-4704

36. Am803513

37. Sy001472

38. Db-028406

39. 3'-bromoacetophenone, Reagentplus(r), 99%

40. B0536

41. Ft-0615187

42. 3 Inverted Exclamation Mark -bromoacetophenone

43. D70815

44. A815335

45. W-107557

46. 3'-bromoacetophenone, Vetec(tm) Reagent Grade, 98%

47. Q63409213

48. F0001-0765

49. Z1250132603

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 199.04 g/mol
Molecular Formula C8H7BrO
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass197.96803 g/mol
Monoisotopic Mass197.96803 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity133
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1