Propiconazole

Synonyms: Propiconazol, "Desmel", "Tilt", "Banner", "Orbit", "Proconazole", "CGD 92710F", "1-((2-(2,4-Dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole", "1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole", "1-{[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl}-1H-1,2,4-triazole"

Source: propiconazole is a triazole fungicide that has protective, curative, and systemic activity.

Identifiers:

IUPAC Name: 1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CAS Number: 60207-90-1
PubChem ID: 43234
InChiKey: STJLVHWMYQXCPB-UHFFFAOYSA-N
Canonical SMILES: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl

Structural Properties:

Molecular Formula: C15H17Cl2N3O2
Molecular Weight: 342,200

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 22

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3D structure (.sdf)
3D structure (.mol2)
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3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Emerging Contaminant newtab


Peng, Y., Fang, W., Krauss, M., Brack, W., Wang, Z., Li, F., & Zhang, X. (2018). Screening hundreds of emerging organic pollutants (EOPs) in surface water from the Yangtze River Delta (YRD): occurrence, distribution, ecological risk. Environmental pollution, 241, 484-493.

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