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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Flusalan, Fluorophene, 4776-06-1, Fluorsalan, Vancide fp, Fluorosalan [usan]

Molecular Formula

C₁₄H₈Br₂F₃NO₂

Molecular Weight

439.02 g/mol

InChI Key

VYKKDKFTDMVOBU-UHFFFAOYSA-N

FDA UNII

80OFG3WPYD

1 2D Structure

Fluorosalan

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,5-dibromo-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide

2.1.2 InChI

InChI=1S/C14H8Br2F3NO2/c15-8-5-10(12(21)11(16)6-8)13(22)20-9-3-1-2-7(4-9)14(17,18)19/h1-6,21H,(H,20,22)

2.1.3 InChI Key

VYKKDKFTDMVOBU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC(=C2)Br)Br)O)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

80OFG3WPYD

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Fluorophene

2.3.2 Depositor-Supplied Synonyms

1. Flusalan

2. Fluorophene

3. 4776-06-1

4. Fluorsalan

5. Vancide Fp

6. Fluorosalan [usan]

7. 3,5-dibromo-3'-trifluoromethylsalicylanilide

8. Flusalan [inn]

9. 3,5-dibromo-3'-(trifluoromethyl)salicylanilide

10. 3,5-dibromo-2-hydroxy-n-[3-(trifluoromethyl)phenyl]benzamide

11. 80ofg3wpyd

12. Nsc-166520

13. Chembl283552

14. 3,5-dibromo-2-hydroxy-n-(3-(trifluoromethyl)phenyl)benzamide

15. Flusalan (inn)

16. Nsc166520

17. Fluorosalan (usan)

18. Ncgc00181143-01

19. Benzamide, 3,5-dibromo-2-hydroxy-n-(3-(trifluoromethyl)phenyl)-

20. Dsstox_cid_21985

21. Dsstox_rid_79896

22. Dsstox_gsid_41985

23. Flusalanum

24. 3,5-dibromo-.alpha.,.alpha.,.alpha.-trifluoro-m-salicylotoluidide

25. Cas-4776-06-1

26. Caswell No. 290

27. Flusalanum [inn-latin]

28. Einecs 225-322-0

29. Epa Pesticide Chemical Code 027601

30. Nsc 166520

31. Brn 1155294

32. Fluorosalan [mi]

33. Unii-80ofg3wpyd

34. Fluorosalan [inci]

35. 3,5-dibromo-3'-(triflouromethyl)salicylanilide

36. Schembl374268

37. Dtxsid0041985

38. 3,5-dibromo-alpha,alpha,alpha-trifluoro-m-salicylotoluidide

39. Chebi:135715

40. M-salicylotoluidide, 3,5-dibromo-alpha,alpha,alpha-trifluoro-

41. Zinc537744

42. Tox21_112749

43. Tox21_302424

44. Bdbm50027790

45. Ncgc00181143-02

46. Ncgc00255963-01

47. Nci60_001302

48. Ft-0750585

49. D04222

50. 3,.alpha.,.alpha.-trifluoro-m-salicylotoluidide

51. Sr-01000944883

52. Sr-01000944883-1

53. Q27269166

54. 3,5-dibromo-2-hydroxy-n-(3-trifluoromethyl-phenyl)-benzamide

55. Benzamide,5-dibromo-2-hydroxy-n-[3-(trifluoromethyl)phenyl]-

56. M-salicylotoluidide,5-dibromo-.alpha.,.alpha.,.alpha.-trifluoro-

57. 3,5-dibromo-2-hydroxy-n-(3-trifluoromethyl-phenyl)-benzamide(fluorophen)

58. Benzamide, 3, {5-dibromo-2-hydroxy-n-[3-(trifluoromethyl)phenyl]-}

59. M-salicylotoluidide, 3,5-dibromo-.alpha.,.alpha., .alpha.-trifluoro-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₈Br₂F₃NO₂
Molecular Weight	439.02 g/mol
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	438.88534 g/mol
Monoisotopic Mass	436.88739 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	408
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