diuron

Synonyms: 3-(3,4-dichlorophenyl)-1,1-dimethylurea, "DCMU", "dichlorfenidim", "herbatox", "vonduron", "dailon", "karmex", "marmer"

Source: diuron is a substituted urea herbicide used to control a wide variety of annual and perennial broadleaf and grassy weeds.

Identifiers:

IUPAC Name: 3-(3,4-dichlorophenyl)-1,1-dimethylurea
CAS Number: 330-54-1
PubChem ID: 3120
InChiKey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N
Canonical SMILES: CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

Structural Properties:

Molecular Formula: C₉H₁₀Cl₂N₂O
Molecular Weight: 233.1

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 14

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Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

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2D-structure

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