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Overview of CAS 461432-22-4

Client Email Product
4CH-021635
PharmaCompass
4CH-021635
Also known as: 461432-22-4, Methanone, (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-, 5-bromo-2-chloro-4'-ethoxybenzophenone, Ak-45003, Methanone,(5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-, Dapagliflozin impurity 6
Molecular Formula
C15H12BrClO2
Molecular Weight
339.613  g/mol
InChI Key
OEURLNJEQCLGPS-UHFFFAOYSA-N

1 2D Structure

4CH-021635

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone
2.1.2 InChI
InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
2.1.3 InChI Key
OEURLNJEQCLGPS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 461432-22-4

2. Methanone, (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-

3. 5-bromo-2-chloro-4'-ethoxybenzophenone

4. Ak-45003

5. Methanone,(5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-

6. Dapagliflozin Impurity 6

7. Pubchem19264

8. Dapagliflozin Intermediate I

9. Schembl17019

10. (5-bromo-2-chloro-phenyl)-(4-ethoxyphenyl)methanone

11. Met048

12. Ctk4i9196

13. Dtxsid30434334

14. Molport-012-637-484

15. Oeurlnjeqclgps-uhfffaoysa-n

16. Amx10147

17. Cs-b0022

18. Zx-ah056802

19. Anw-59625

20. Rw4002

21. Sbb069643

22. Zinc34094196

23. Akos009476100

24. An-2438

25. Cb-3261

26. Qc-2694

27. Aba-9376417

28. Ac-27004

29. Acm461432224

30. Aj-86929

31. Bc004429

32. Bc249411

33. Ds-13458

34. Kb-78356

35. Sc-28419

36. Ax8046107

37. Db-011718

38. Tc-148370

39. 4ch-021635

40. Am20090706

41. Ft-0654424

42. St24034800

43. Z6157

44. 432b224

45. (5-bromo-2-chloro Phenyl)(4-ethoxyphenyl)methanone

46. (5-bromo-2-chlorophenyl)(4-ethoxyphenyl) Methanone

47. (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-methanone

48. S14-1635

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 339.613 g/mol
Molecular Formula C15H12BrClO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass337.971 g/mol
Monoisotopic Mass337.971 g/mol
Topological Polar Surface Area26.3 A^2
Heavy Atom Count19
Formal Charge0
Complexity303
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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