difenoconazole

Synonyms: "difenoconazol", "1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole"

Source: difenoconazole is a broad spectrum fungicide that controls a wide variety of fungi.

Identifiers:

IUPAC Name: 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole
CAS Number: 119446-68-3
PubChem ID: 86173
InChiKey: BQYJATMQXGBDHF-UHFFFAOYSA-N
Canonical SMILES: CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl

Structural Properties:

Molecular Formula: C₁₉H₁₇Cl₂N₃O₃
Molecular Weight: 406.263

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 27

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Sanderson JT, Boerma J, Lansbergen GW, van den Berg M. 2002. Induction and inhibition of aromatase (CYP19) activity by various classes of pesticides in H295R human adrenocortical carcinoma cells. Toxicol Appl Pharmacol 182(1):44-54.