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Chemical structure of Difenoconazole-d6 (hydrochloride)

GC47218

Difenoconazole-d6 (hydrochloride)

Also known as 1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4,4,5-trideuterio-5-(trideuteriomethyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole;hydrochloride

A neuropeptide with diverse biological activities

ChemicalCAS2748435-81-4MW448.8FormulaC19H11D6Cl2N3O3·HCl
CAS number
2748435-81-4
Molecular weight
448.8
Formula
C19H11D6Cl2N3O3·HCl
Solubility
Methanol： slightly soluble
InChIKey
QTISUTWAEMTHNS-ZLTZPWCBSA-N
Catalogue number
GC47218
Brand
GLPBIO
Computed properties PubChem CID 163332391 · TPSA 58.4 Ų · H-bond donors 1 · H-bond acceptors 5
TPSA
58.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28

SMILES [2H]C1(C(OC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl)([2H])C([2H])([2H])[2H])[2H].Cl

Computed descriptors from PubChem (CID 163332391), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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