CAS 2142-63-4

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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

CAS 2142-63-4

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 Formula	C₈H₇BrO
Molecular Weight	199.04 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	197.96803 g/mol
Monoisotopic Mass	197.96803 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
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