Metazachlor

Synonyms: Metazachlor, "Metazachlore", "Butisan S", "N-((1H-Pyrazol-1-yl)methyl)-2-chloro-N-(2,6-dimethylphenyl)acetamide", "Sultan", "Pree", "2-Chloro-N-(2,6-dimethylphenyl)-N-(1H-pyrazol-1-ylmethyl)acetamide", "2-Chloro-N-(pyrazol-1-ylmethyl)acet-2',6'-xylidide", "2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide".

Source: Metazachlor is a chloroacetamide herbicide.

Identifiers:

IUPAC Name: 2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
CAS Number: 67129-08-2
PubChem ID: 49384
InChiKey: STEPQTYSZVCJPV-UHFFFAOYSA-N
Canonical SMILES: CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl

Structural Properties:

Molecular Formula: C₁₄H₁₆ClN₃O
Molecular Weight: 277.75

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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