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Chemical structure of Triadimenol

GC45079

Triadimenol

Also known as 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

Triadimenol is a metabolite of triadimefon, a broad-spectrum chiral triazole fungicide, that is formed by reduction of a carbonyl group to the corresponding alcohol

ChemicalCAS55219-65-3MW295.8FormulaC14H18ClN3O2
CAS number
55219-65-3
Molecular weight
295.8
Formula
C14H18ClN3O2
Solubility
Methanol： 25 mg/ml
InChIKey
BAZVSMNPJJMILC-UHFFFAOYSA-N
Catalogue number
GC45079
Brand
GLPBIO
Computed properties PubChem CID 41368 · XLogP 3.1 · TPSA 60.2 Ų · H-bond donors 1
XLogP
3.1
TPSA
60.2 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

SMILES CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O

Computed descriptors from PubChem (CID 41368), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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