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Chemical structure of Mefentrifluconazole

GC39572

Mefentrifluconazole

Also known as 2-[4-(4-chlorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1,2,4-triazol-1-yl)propan-2-ol

Mefentrifluconazole is a novel azole derivative and used as an agrochemical broad-spectrum antifungal agent

ChemicalCAS1417782-03-6MW397.78FormulaC18H15ClF3N3O2
CAS number
1417782-03-6
Molecular weight
397.78
Formula
C18H15ClF3N3O2
Solubility
DMSO： 100 mg/mL (251·40 mM)
InChIKey
JERZEQUMJNCPRJ-UHFFFAOYSA-N
Catalogue number
GC39572
Brand
GLPBIO
Computed properties PubChem CID 71230671 · XLogP 4 · TPSA 60.2 Ų · H-bond donors 1
XLogP
4
TPSA
60.2 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

SMILES CC(CN1C=NC=N1)(C2=C(C=C(C=C2)OC3=CC=C(C=C3)Cl)C(F)(F)F)O

Computed descriptors from PubChem (CID 71230671), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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