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Chemical structure of Fenbuconazole (phenyl D5)

GC72662

Fenbuconazole (phenyl D5)

Also listed as 2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile-d5

2-((1H-1,2,4-Triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile-d5 is the deuterium labeled 2-((1H-1,2,4-triazol-1-yl)methyl)-4-(4-chlorophenyl)-2-phenylbutanenitrile

ChemicalCAS1398066-06-2MW341.85FormulaC19H12D5ClN4
CAS number
1398066-06-2
Molecular weight
341.85
Formula
C19H12D5ClN4
InChIKey
RQDJADAKIFFEKQ-RALIUCGRSA-N
Catalogue number
GC72662
Brand
GLPBIO
Computed properties PubChem CID 129318190 · XLogP 3.2 · TPSA 54.5 Ų · H-bond donors 0
XLogP
3.2
TPSA
54.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
24

SMILES [2H]C1=C(C(=C(C(=C1[2H])[2H])C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N)[2H])[2H]

Computed descriptors from PubChem (CID 129318190), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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