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    Penconazole

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 553Xls

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    2D Structure
    Also known as: 66246-88-6, Topaz, Topaze, Onmex, 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole, Award
    Molecular Formula
    C13H15Cl2N3
    Molecular Weight
    284.18  g/mol
    InChI Key
    WKBPZYKAUNRMKP-UHFFFAOYSA-N
    FDA UNII
    3UN9F9ZJ43
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole
    2.1.2 InChI
    InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
    2.1.3 InChI Key
    WKBPZYKAUNRMKP-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl
    2.2 Other Identifiers
    2.2.1 UNII
    3UN9F9ZJ43
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2,4-dichloro-beta-propylphenethyl)-1h-1,2,4-triazole

    2.3.2 Depositor-Supplied Synonyms

    1. 66246-88-6

    2. Topaz

    3. Topaze

    4. Onmex

    5. 1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole

    6. Award

    7. 1-(2-(2,4-dichlorophenyl)pentyl)-1h-1,2,4-triazole

    8. 1h-1,2,4-triazole, 1-[2-(2,4-dichlorophenyl)pentyl]-

    9. Cga 71818

    10. Penconazol

    11. 3un9f9zj43

    12. Topas

    13. 1h-1,2,4-triazole, 1-(2-(2,4-dichlorophenyl)pentyl)-

    14. Chebi:83993

    15. 1-[2-(2,4-dichlorophenyl)pentyl]-1h-1,2,4-triazole

    16. Penconazole 10 Microg/ml In Cyclohexane

    17. Penconazole 100 Microg/ml In Acetonitrile

    18. Topaze C

    19. Penconazole [bsi:iso]

    20. Einecs 266-275-6

    21. Brn 0541488

    22. Unii-3un9f9zj43

    23. Topas 100

    24. Penconazole [mi]

    25. Topaz [inci]

    26. Penconazole [iso]

    27. Dsstox_cid_22260

    28. Dsstox_rid_79978

    29. Dsstox_gsid_42260

    30. Schembl24791

    31. 5-26-01-00149 (beilstein Handbook Reference)

    32. Penconazole 66246-88-6

    33. Chembl481474

    34. Dtxsid8042260

    35. Tox21_301318

    36. Cga-71818

    37. Mfcd00078737

    38. Akos015906183

    39. Penconazole 100 Microg/ml In Methanol

    40. Ncgc00166157-01

    41. Ncgc00255892-01

    42. Ac-12494

    43. As-14842

    44. Penconazole 1000 Microg/ml In N-hexane

    45. Cas-66246-88-6

    46. Db-054891

    47. Hy-135761

    48. Cs-0113947

    49. Ft-0630762

    50. Penconazol, Pestanal(r), Analytical Standard

    51. C18801

    52. E76108

    53. 246p886

    54. 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole

    55. Q2426626

    56. 1-[2-(2,4-dichlorophenyl)-n-pentyl]-1h-1,2,4-triazole

    57. 1-[2-(2,4-dichlorophenyl)-pentyl]-1h-1,2,4-triazole

    58. (rs)-1-(2-(2,4-dichlorophenyl)-n-pentyl)-1h-1,2,4-triazole

    59. 1-(2-(2,4-dichlorophenyl)pentyl)-1h-1,2,4-triazole, (+/-)-

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 284.18 g/mol
    Molecular Formula C13H15Cl2N3
    XLogP34.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count5
    Exact Mass283.0643029 g/mol
    Monoisotopic Mass283.0643029 g/mol
    Topological Polar Surface Area30.7 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity252
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Fungicides, Industrial

    Chemicals that kill or inhibit the growth of fungi in agricultural applications, on wood, plastics, or other materials, in swimming pools, etc. (See all compounds classified as Fungicides, Industrial.)