linuron

Synonyms: methoxydiuron, "afalon", "Aphalon", "Cephalon", "linurex", "linex", "lorox", "afalon inuron", "herbicide 326"

Source: linuron is a herbicide used to control germinating and newly emerging grasses and broad-leafed weeds.

Identifiers:

IUPAC Name: 3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
CAS Number: 330-55-2
PubChem ID: 9502
InChiKey: XKJMBINCVNINCA-UHFFFAOYSA-N
Canonical SMILES: CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC

Structural Properties:

Molecular Formula: C₉H₁₀Cl₂N₂O₂
Molecular Weight: 249.09

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 15

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Evidence Supporting This Chemical as an Emerging Contaminant

Osorio, V., Schriks, M., Vughs, D., de Voogt, P., Kolkman, A. (2018). A novel sample preparation procedure for effect-directed analysis of micro-contaminants of emerging concern in surface waters. Talanta 186, 527?537.

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2D-structure

3D-structure