Boscalid

Synonyms: Boscalid, "Nicobifen", "Endura", "2-Chloro-N-(4'-chloro-[1,1'-biphenyl]-2-yl)nicotinamide", "Emerald", "Anilide", "Cantus", "2-chloro-N-(4'-chlorobiphenyl-2-yl)nicotinamide", "BAS 510F", "2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide"

Source: Boscalid is a systemic fungicide.

Identifiers:

IUPAC Name: 2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
CAS Number: 188425-85-6
PubChem ID: 213013
InChiKey: WYEMLYFITZORAB-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl

Structural Properties:

Molecular Formula: C₁₈H₁₂Cl₂N₂O
Molecular Weight: 343,200

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 23

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Emerging Contaminant

Lapworth, D. J., Baran, N., Stuart, M. E., Manamsa, K., & Talbot, J. (2015). Persistent and emerging micro-organic contaminants in Chalk groundwater of England and France. Environmental pollution, 203, 214-225.

External Links

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2D-structure

3D-structure