CAS 99-90-1

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Also known as: 99-90-1, 1-(4-bromophenyl)ethanone, P-bromoacetophenone, 4-bromoacetophenone, Ethanone, 1-(4-bromophenyl)-, 1-(4-bromophenyl)ethan-1-one

Molecular Formula

C₈H₇BrO

Molecular Weight

199.04 g/mol

InChI Key

WYECURVXVYPVAT-UHFFFAOYSA-N

FDA UNII

7NB3XRY0C6

P-bromoacetophenone is a natural product found in Baccharis with data available.

1 2D Structure

CAS 99-90-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(4-bromophenyl)ethanone

2.1.2 InChI

InChI=1S/C8H7BrO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3

2.1.3 InChI Key

WYECURVXVYPVAT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

7NB3XRY0C6

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-bromoacetophenone

2. P-bromoacetophenone

2.3.2 Depositor-Supplied Synonyms

1. 99-90-1

2. 1-(4-bromophenyl)ethanone

3. P-bromoacetophenone

4. 4-bromoacetophenone

5. Ethanone, 1-(4-bromophenyl)-

6. 1-(4-bromophenyl)ethan-1-one

7. 1-acetyl-4-bromobenzene

8. Methyl P-bromophenyl Ketone

9. Acetophenone, 4'-bromo-

10. P-bromophenyl Methyl Ketone

11. Mfcd00000105

12. 1-(4-bromo-phenyl)-ethanone

13. 4-acetylbromobenzene

14. 4-bromo Acetophenone

15. Para-bromoacetophenone

16. 4'-bromo Acetophenone

17. 1-bromo-4-acetylbenzene

18. 7nb3xry0c6

19. 1-(4-bromophenyl)-ethanone

20. Nsc-17541

21. Bromoacetophenone-4

22. Unii-7nb3xry0c6

23. Einecs 202-799-3

24. Nsc 17541

25. 4-bromophenylethanone

26. 4-bromohypnone

27. Ai3-00489

28. 4?-bromoacetophenone

29. Acetophenone,4-bromo

30. Schembl20102

31. 4'-bromoacetophenone, 98%

32. 4-acetylphenyl Bromide

33. Bidd:er0705

34. Ethanone,1-(4-bromophenyl)-

35. 1-(4-bromophenyl)ethanone #

36. Acetophenone, P-bromo-

37. Chembl401928

38. 1-(4-bromophenyl)-1-ethanone

39. 4-acetyl-1-bromobenzene

40. Dtxsid4059203

41. P-bromoacetophenone [mi]

42. Zinc80820

43. 1-(4-bromo-phenyl)ethan-1-one

44. 1-(p-bromophenyl)ethanone

45. 4-bromophenyl Methyl Ketone

46. Methyl 4-bromophenyl Ketone

47. Act12912

48. Nsc17541

49. Str00836

50. 4-bromobenzene Methyl Ketone

51. Ac7918

52. Stk358825

53. Akos000119010

54. Ac-3632

55. Cs-w020546

56. Ol10143

57. Pb47185

58. Ps-3069

59. Sy001458

60. Am20050031

61. B0537

62. Ft-0617848

63. Ft-0663620

64. 4 Inverted Exclamation Mark -bromoacetophenone

65. A19693

66. J-501375

67. W-100010

68. Q27268608

69. Z57127459

70. F3096-1713

71. 1-(4-bromophenyl)ethanone; 1-acetyl-4-bromobenzene; P-bromoacetophenone;4'-bromoacetophenone

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₇BrO
Molecular Weight	199.04 g/mol
XLogP3	2.4
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	125
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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