CAS 6851-99-6

ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

Virtual Booth

Contact Supplier

Cohance Lifesciences, offers full range of CDMO services for small molecule APIs, intermediates, ADCs, Pellets and Formulations.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers

2 Suppliers

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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 Formula	C₈H₆BrNO₃
Molecular Weight	244.04 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	242.95311 g/mol
Monoisotopic Mass	242.95311 g/mol
Topological Polar Surface Area	62.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214
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

BUILDING BLOCK

Upload your portfolio for free, ask us

SUPPLIERS

Only 10 entries up to this point, click to access all

CAS 6851-99-6 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

2 Suppliers

What are you looking for?