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Overview of CAS 6851-99-6

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4CH-014526
PharmaCompass
  • Chemistry
4CH-014526
Also known as: 6851-99-6, 2'-nitrophenacyl bromide, 2-bromo-1-(2-nitrophenyl)ethanone, 2-nitrophenacyl bromide, 2-bromo-1-(2-nitro-phenyl)-ethanone, O-nitrophenacyl bromide
Molecular Formula
C8H6BrNO3
Molecular Weight
244.044  g/mol
InChI Key
SGXUUCSRVVSMGK-UHFFFAOYSA-N

1 2D Structure

4CH-014526

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromo-1-(2-nitrophenyl)ethanone
2.1.2 InChI
InChI=1S/C8H6BrNO3/c9-5-8(11)6-3-1-2-4-7(6)10(12)13/h1-4H,5H2
2.1.3 InChI Key
SGXUUCSRVVSMGK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C(=C1)C(=O)CBr)[N+](=O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 6851-99-6

2. 2'-nitrophenacyl Bromide

3. 2-bromo-1-(2-nitrophenyl)ethanone

4. 2-nitrophenacyl Bromide

5. 2-bromo-1-(2-nitro-phenyl)-ethanone

6. O-nitrophenacyl Bromide

7. O-nitrophenethyl Bromide

8. Sgxuucsrvvsmgk-uhfffaoysa-n

9. Mfcd00010294

10. 2-(o-nitrophenyl)ethyl Bromide

11. 2-bromo-1-(2-nitrophenyl)ethan-1-one

12. Ethanone, 2-bromo-1-(2-nitrophenyl)-

13. 2-bromo-1-(2-nitrophenyl)ethane

14. 2-bromo-2'-nitro-acetophenone

15. Nsc54389

16. Zlchem 1069

17. Pubchem11073

18. Acmc-1bfbw

19. O-nitro Phenacyl Bromide

20. 2-nitro-phenacyl Bromide

21. Ac1q1wuq

22. Ac1q5aur

23. Ac1l6ct9

24. Ksc495a5n

25. 2-bromo-2;-nitroacetophenone

26. Schembl220347

27. 2-bromo-2/'-nitroacetophenone

28. 2'-nitro-alpha-bromoacetophenone

29. Ctk3j5056

30. Dtxsid30288152

31. Zld0535

32. 2'-nitro Phenacyl Bromide

33. Molport-000-150-274

34. Act00697

35. Ks-00000bz2

36. Zinc1685184

37. Anw-35513

38. Nsc-54389

39. Or2385

40. 2-bromo-2'-nitroacetophenone, 99%

41. Akos004904847

42. 2-bromo-1-(2-nitrophenyl)ethanone #

43. Ac-1658

44. As05125

45. At-7797

46. Cb-2789

47. Cs-w002055

48. Qc-1315

49. Rtr-033212

50. Vz23894

51. Aj-29815

52. Ak-47378

53. An-14709

54. As-17851

55. Bc003577

56. Bc682418

57. Bp-20103

58. Br-47378

59. Cj-06371

60. Cj-27820

61. Fs000823

62. Sc-13397

63. Sy002405

64. Ab0021018

65. Ab1003678

66. St2416516

67. Tr-033212

68. 4ch-014526

69. Am20041011

70. B3528

71. Ft-0082652

72. V2158

73. M-1674

74. 2 Inverted Exclamation Marka-nitrophenacyl Bromide

75. 851b996

76. At-419/43492654

77. I01-7523

78. J-508190

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 244.044 g/mol
Molecular Formula C8H6BrNO3
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass242.953 g/mol
Monoisotopic Mass242.953 g/mol
Topological Polar Surface Area62.9 A^2
Heavy Atom Count13
Formal Charge0
Complexity214
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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