Also known as: 79983-71-4, Anvil, Anvil l, 2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)hexan-2-ol, (-)-hexaconazol, Pp 523

Molecular Formula

C₁₄H₁₇Cl₂N₃O

Molecular Weight

314.2 g/mol

InChI Key

STMIIPIFODONDC-UHFFFAOYSA-N

FDA UNII

SX9R3X1FQV

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol

2.1.2 InChI

InChI=1S/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3

2.1.3 InChI Key

STMIIPIFODONDC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O

2.2 Other Identifiers

2.2.1 UNII

SX9R3X1FQV

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 79983-71-4

2. Anvil

3. Anvil L

4. 2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)hexan-2-ol

5. (-)-hexaconazol

6. Pp 523

7. 2-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol

8. Sx9r3x1fqv

9. Contaf 5ec

10. Chebi:83711

11. Contaf

12. Sitara

13. (rs)-2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)hexan-2-ol

14. Hexaconazole 1000 Microg/ml In Toluene

15. Chlortriafol

16. Hexaconazol

17. Hexaconazole 10 Microg/ml In Cyclohexane

18. Hexaconazole 100 Microg/ml In Acetonitrile

19. Anvil Liquid

20. Anvil (fungicide)

21. Hexaconazole [bsi:iso]

22. Fd 4053

23. Unii-sx9r3x1fqv

24. R 154523

25. Hexaconzole

26. Planete

27. Hexaconazole [mi]

28. Hexaconazole [iso]

29. Alpha-butyl-alpha-(2,4-dichlorophenyl)-1h-1,2,4-triazole-1-ethanol (+-)-

30. Ec 413-050-7

31. Dsstox_cid_14653

32. Dsstox_rid_79183

33. Dsstox_gsid_34653

34. Schembl21992

35. (+/-)-hexaconazole

36. Chembl1898860

37. Dtxsid4034653

38. Hexaconazole, (+/-)-

39. Hy-a0278

40. Tox21_300684

41. Pp-523

42. Rs-2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)hexan-2-ol

43. 1h-1,2,4-triazole-1-ethanol, .alpha.-butyl-.alpha.-(2,4-dichlorophenyl)-

44. 1h-1,2,4-triazole-1-ethanol, Alpha-butyl-alpha-(2,4-dichlorophenyl)-

45. Akos015895354

46. Cs-5814

47. Pc-1002

48. 1h-1,2,4-triazole-1-ethanol, Alpha-butyl-alpha-(2,4-dichlorophenyl)-, (+-)-

49. Hexaconazole 100 Microg/ml In Methanol

50. Ncgc00164270-01

51. Ncgc00164270-02

52. Ncgc00164270-03

53. Ncgc00254592-01

54. Ac-16157

55. Ls-14301

56. Cas-79983-71-4

57. Ft-0655723

58. C18466

59. Hexaconazol, Pestanal(r), Analytical Standard

60. 983h714

61. A839797

62. Q424794

63. R-154523

64. 2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)-2-hexanol #

65. (+/-)-2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)-2-hexanol

66. .alpha.-butyl-.alpha.-(2,4-dichlorophenyl)-1h-1,2,4-triazole-1-ethanol (.+/-.)-

67. 1h-1,2,4-triazole-1-ethanol, .alpha.-butyl-.alpha.-(2,4-dichlorophenyl)-, (.+/-.)-

68. Pesticide6_hexaconazole_c14h17cl2n3o_2-(2,4-dichlorophenyl)-1-(1h-1,2,4-triazol-1-yl)-2-hexanol

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇Cl₂N₃O
Molecular Weight	314.2 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	313.0748676 g/mol
Monoisotopic Mass	313.0748676 g/mol
Topological Polar Surface Area	50.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	308
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Hexaconazole

Hexaconazole

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