2-Bromopropiophenone

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Also known as: 2114-00-3, Alpha-bromopropiophenone, 2-bromo-1-phenylpropan-1-one, 1-propanone, 2-bromo-1-phenyl-, 1-benzoyl-1-bromoethane, 1-bromoethyl phenyl ketone

Molecular Formula

C₉H₉BrO

Molecular Weight

213.07 g/mol

InChI Key

WPDWOCRJBPXJFM-UHFFFAOYSA-N

1 2D Structure

2-Bromopropiophenone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-1-phenylpropan-1-one

2.1.2 InChI

InChI=1S/C9H9BrO/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7H,1H3

2.1.3 InChI Key

WPDWOCRJBPXJFM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C(=O)C1=CC=CC=C1)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2114-00-3

2. Alpha-bromopropiophenone

3. 2-bromo-1-phenylpropan-1-one

4. 1-propanone, 2-bromo-1-phenyl-

5. 1-benzoyl-1-bromoethane

6. 1-bromoethyl Phenyl Ketone

7. Tl 336

8. 2-bromo-1-phenyl-1-propanone

9. Propiophenone, 2-bromo-

10. 2-bromo-1-phenyl-propan-1-one

11. Nsc 89689

12. .alpha.-bromopropiophenone

13. Einecs 218-307-5

14. 2-bromo-propiophenone

15. Brn 0508550

16. Wln: Ey1&vr

17. 2-bromopropiophenone, 95%

18. Schembl187606

19. .alpha.-methylphenacyl Bromide

20. 1-phenyl-2-bromo-1-propanone

21. 1-phenyl-1-oxo-2-bromopropane

22. .alpha.-bromoethyl Phenyl Ketone

23. Dtxsid10870938

24. 2-bromo-1-phenyl-1-propanone #

25. Albb-021327

26. Nsc89689

27. Mfcd00000145

28. Nsc-89689

29. Akos000210946

30. Akos016050375

31. Db-013015

32. 2-bromopropiophenone, Technical Grade, 90%

33. Am20060546

34. B2933

35. Cs-0204638

36. Ft-0622122

37. En300-20881

38. F14834

39. 4-07-00-00684 (beilstein Handbook Reference)

40. A815161

41. A828397

42. W-107571

43. 2-bromo-1-(o-tolyl)ethanone;2-bromo-2'-methylacetophenone

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₉BrO
Molecular Weight	213.07 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	211.98368 g/mol
Monoisotopic Mass	211.98368 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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