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Chemical structure of Penconazole-d7

GC73048

Penconazole-d7

Also known as 1-[3,3,4,4,5,5,5-heptadeuterio-2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole

Penconazole-d7 is the deuterium labeled Penconazole

ChemicalCAS1628110-84-8MW291.23FormulaC13H8D7Cl2N3
CAS number
1628110-84-8
Molecular weight
291.23
Formula
C13H8D7Cl2N3
InChIKey
WKBPZYKAUNRMKP-NCKGIQLSSA-N
Catalogue number
GC73048
Brand
GLPBIO
Computed properties PubChem CID 117065530 · XLogP 4.4 · TPSA 30.7 Ų · H-bond donors 0
XLogP
4.4
TPSA
30.7 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
18

SMILES [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl

Computed descriptors from PubChem (CID 117065530), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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