DNOC

Synonyms: 4,6-dinitro-o-cresol, "2-methyl-4,6-dinitrophenol", "antinonnin", "sinox", "dinitro-o-cresol", "3,5-dinitro-2-hydroxytoluene", "dinitrocresol", "antinonin"

Source: DNOC is a pesticide and an antimicrobial agent that has been used as wood preservative.

Identifiers:

IUPAC Name: 2-methyl-4,6-dinitrophenol
CAS Number: 534-52-1
PubChem ID: 10800
InChiKey: ZXVONLUNISGICL-UHFFFAOYSA-N
Canonical SMILES: CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]

Structural Properties:

Molecular Formula: C₇H₆N₂O₅
Molecular Weight: 198.13

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
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.

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2D-structure

3D-structure