mecoprop

Synonyms: mecopeop, "2-(4-chloro-2-methylphenoxy)propanoic acid", "compitox", "rankotex", "MCPP", "anicon B", "mechlorprop", "isocarnox", "kilprop"

Source: mecoprop is a selective, hormone-type phenoxy herbicide.

Identifiers:

IUPAC Name: 2-(4-chloro-2-methylphenoxy)propanoic acid
CAS Number: 93-65-2 / 7085-19-0
PubChem ID: 7153
InChiKey: WNTGYJSOUMFZEP-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O

Structural Properties:

Molecular Formula: C₁₀H₁₁ClO₃
Molecular Weight: 214.65

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 3
Number of atoms different from hydrogen: 14

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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.

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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