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Chemical structure of Hexaconazole

GC33479

Hexaconazole

Also listed as Hexaconazole ((-)-Hexaconazol)

Hexaconazole ((-)-Hexaconazol) is a systemic fungicide used for the control of many fungi particularly Ascomycetes and Basidiomycetes

ChemicalCAS79983-71-4MW314.21FormulaC14H17Cl2N3O
CAS number
79983-71-4
Molecular weight
314.21
Formula
C14H17Cl2N3O
Solubility
DMSO ： ≥ 100 mg/mL (318·26 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
STMIIPIFODONDC-UHFFFAOYSA-N
Catalogue number
GC33479
Brand
GLPBIO
Computed properties PubChem CID 66461 · XLogP 3.7 · TPSA 50.9 Ų · H-bond donors 1
XLogP
3.7
TPSA
50.9 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
20

SMILES CCCCC(CN1C=NC=N1)(C2=C(C=C(C=C2)Cl)Cl)O

Computed descriptors from PubChem (CID 66461), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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