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  • Chemistry
CAS 6851-99-6
Also known as: 6851-99-6, 2'-nitrophenacyl bromide, 2-bromo-1-(2-nitrophenyl)ethanone, 2-nitrophenacyl bromide, O-nitrophenacyl bromide, Bromo-2'-nitroacetophenone
Molecular Formula
C8H6BrNO3
Molecular Weight
244.04  g/mol
InChI Key
SGXUUCSRVVSMGK-UHFFFAOYSA-N

1 2D Structure

CAS 6851-99-6

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. O-nitrophenacyl Bromide

6. Bromo-2'-nitroacetophenone

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

8. Mfcd00010294

9. 2-bromo-1-(2-nitro-phenyl)-ethanone

10. 2-bromo-2'-nitro-acetophenone

11. Nsc54389

12. O-nitro Phenacyl Bromide

13. 2-nitro-phenacyl Bromide

14. 2-bromo-2`-nitroacetophenone

15. Schembl220347

16. 2'-nitro-alpha-bromoacetophenone

17. Dtxsid30288152

18. 2'-nitro Phenacyl Bromide

19. Act00697

20. Zinc1685184

21. Bbl103695

22. Nsc-54389

23. Stl557505

24. 2-bromo-2'-nitroacetophenone, 99%

25. Akos004904847

26. 2-bromo-1-(2-nitrophenyl)ethanone #

27. Ac-1658

28. Cs-w002055

29. As-17851

30. Bp-20103

31. A9120

32. Am20041011

33. B3528

34. 851b996

35. At-419/43492654

36. J-508190

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 244.04 g/mol
Molecular Formula C8H6BrNO3
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass242.95311 g/mol
Monoisotopic Mass242.95311 g/mol
Topological Polar Surface Area62.9 Ų
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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