bentazon

Synonyms: bentazon, "basagran", "bendioxide", "leader", "basagran 480", "pentazone", "laddok", "pledge", "basagran-plus"

Source: bentazon is a herbicide used in agriculture for selective post-emergence control of many broad leaf weeds in soybeans, rice, corn, peanut, mint, dry bean, dry peas and lima bean plantations.

Identifiers:

IUPAC Name: 2,2-dioxo-3-propan-2-yl-1H-2?⁶,1,3-benzothiadiazin-4-one
CAS Number: 25057-89-0
PubChem ID: 2328
InChiKey: ZOMSMJKLGFBRBS-UHFFFAOYSA-N
Canonical SMILES: CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O

Structural Properties:

Molecular Formula: C₁₀H₁₂N₂O₃S
Molecular Weight: 240.28

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 4
Number of atoms different from hydrogen: 16

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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.

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2D-structure

3D-structure