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Chemical structure of Diniconazole

GC32151

Diniconazole

Also listed as Diniconazole (Rac-diniconazole)

Diniconazole (Rac-diniconazole) is a newly developed fungicide strongly inhibited lanosterol 14 alpha-demethylation catalyzed by a yeast cytochrome P-450

ChemicalCAS83657-24-3MW326.22FormulaC15H17Cl2N3O
CAS number
83657-24-3
Molecular weight
326.22
Formula
C15H17Cl2N3O
Solubility
DMSO : ≥ 100 mg/mL (306·54 mM);Water : < 0·1 mg/mL (insoluble)
InChIKey
FBOUIAKEJMZPQG-AWNIVKPZSA-N
Catalogue number
GC32151
Brand
GLPBIO
Computed properties PubChem CID 6436605 · XLogP 4.2 · TPSA 50.9 Ų · H-bond donors 1
XLogP
4.2
TPSA
50.9 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21

SMILES CC(C)(C)C(/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2)O

Computed descriptors from PubChem (CID 6436605), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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