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Chemical structure of Pendimethalin

GC61169

Pendimethalin

Also known as 3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline

Pendimethalin is an herbicide that controls annual grasses and certain broadleaf weeds

ChemicalCAS40487-42-1MW281.31FormulaC13H19N3O4
CAS number
40487-42-1
Molecular weight
281.31
Formula
C13H19N3O4
Solubility
DMSO: 100 mg/mL (355·48 mM)
InChIKey
CHIFOSRWCNZCFN-UHFFFAOYSA-N
Catalogue number
GC61169
Brand
GLPBIO
Computed properties PubChem CID 38479 · XLogP 5.2 · TPSA 104 Ų · H-bond donors 1
XLogP
5.2
TPSA
104 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

SMILES CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]

Computed descriptors from PubChem (CID 38479), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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