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Also known as: 60207-31-0, Madurox, Azaconazol, 1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1h-1,2,4-triazole, Azaconazolum, Azoconazole

Molecular Formula

C₁₂H₁₁Cl₂N₃O₂

Molecular Weight

300.14 g/mol

InChI Key

AKNQMEBLVAMSNZ-UHFFFAOYSA-N

FDA UNII

45683D94EU

1 2D Structure

Azaconazole

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

2.1.2 InChI

InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2

2.1.3 InChI Key

AKNQMEBLVAMSNZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl

2.2 Other Identifiers

2.2.1 UNII

45683D94EU

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1h-1,2,4-triazole

2. R 28644

2.3.2 Depositor-Supplied Synonyms

1. 60207-31-0

2. Madurox

3. Azaconazol

4. 1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-1h-1,2,4-triazole

5. Azaconazolum

6. Azoconazole

7. R 28644

8. 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole

9. R-28644

10. 1-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-ylmethyl]-1h-1,2,4-triazole

11. Chebi:81898

12. R-28,644

13. 1h-1,2,4-triazole, 1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-

14. 45683d94eu

15. Ncgc00166311-01

16. Azoconozole

17. 1h-1,2,4-triazole, 1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)-

18. Dsstox_cid_21613

19. Dsstox_rid_79786

20. Dsstox_gsid_41613

21. Azaconazole [ansi]

22. Azaconazole [usan:inn]

23. Azaconazol [inn-spanish]

24. Azaconazolum [inn-latin]

25. Cas-60207-31-0

26. Einecs 262-102-3

27. Brn 0822252

28. Rodewod

29. Unii-45683d94eu

30. Azaconazole [mi]

31. Azaconazole [inn]

32. Azaconazole (usan/inn)

33. Azaconazole [usan]

34. 1h-1,2,4-triazole, 1-((2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl)methyl)

35. Schembl21056

36. Zinc975

37. 5-26-01-00204 (beilstein Handbook Reference)

38. Chembl261627

39. Dtxsid3041613

40. Tox21_112407

41. Tox21_301852

42. Bdbm50375305

43. Akos015901790

44. Azaconazole 100 Microg/ml In Methanol

45. Azaconazole 10 Microg/ml In Cyclohexane

46. Ncgc00255470-01

47. Azaconazole 10 Microg/ml In Acetonitrile

48. Db-053555

49. Ft-0602857

50. 3-(isopropoxycarbonyl)phenylboronicacid

51. Azaconazole, Pestanal(r), Analytical Standard

52. C18701

53. D03023

54. R28644

55. 207a310

56. Sr-01000883713

57. Sr-01000883713-1

58. W-105272

59. Q15632846

60. 1-{1-[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]ethan-2-yl}-1h-1,2,4-triazole

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₁Cl₂N₃O₂
Molecular Weight	300.14 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	299.0228320 g/mol
Monoisotopic Mass	299.0228320 g/mol
Topological Polar Surface Area	49.2 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	315
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