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Chemical structure of Triadimenol-d4

GC71673

Triadimenol-d4

Also known as 1-(4-chloro-2,3,5,6-tetradeuteriophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

Triadimenol-d4 is the deuterium labeled Triadimenol

ChemicalCAS2121989-56-6MW299.79FormulaC14H14D4ClN3O2
CAS number
2121989-56-6
Molecular weight
299.79
Formula
C14H14D4ClN3O2
InChIKey
BAZVSMNPJJMILC-UGWFXTGHSA-N
Catalogue number
GC71673
Brand
GLPBIO
Computed properties PubChem CID 124203130 · 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 [2H]C1=C(C(=C(C(=C1OC(C(C(C)(C)C)O)N2C=NC=N2)[2H])[2H])Cl)[2H]

Computed descriptors from PubChem (CID 124203130), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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