Acetochlor

Synonyms: acetochlor, "2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide", "Acetochlore", "Azetochlor", "Nevirex", "Harness", "Acenit", "Erunit", "2-Chloro-2'-methyl-6-ethyl-N-ethoxymethylacetanilide", "2-Chloro-N-(ethoxymethyl)-6'-ethyl-o-acetotoluidide"

Source: acetochlor is the active ingredient of a variety of commercial herbicides.

Identifiers:

IUPAC Name: 2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CAS Number: 34256-82-1
PubChem ID: 1988
InChiKey: VTNQPKFIQCLBDU-UHFFFAOYSA-N
Canonical SMILES: CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C

Structural Properties:

Molecular Formula: C₁₄H₂₀ClNO₂
Molecular Weight: 269,770

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 18

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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