metolachlor

Synonyms: yibingjiacaoan, "pennant", "codal", "metelilachlor", "humextra"

Source: metolachlor is an organic compound that is widely used as a herbicide.

Identifiers:

IUPAC Name: 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CAS Number: 51218-45-2
PubChem ID: 4169
InChiKey: WVQBLGZPHOPPFO-UHFFFAOYSA-N
Canonical SMILES: CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C

Structural Properties:

Molecular Formula: C₁₅H₂₂ClNO₂
Molecular Weight: 283.79

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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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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