chlornitrofen

Synonyms: "2,4,6-trichlorophenyl 4-nitrophenyl ether", "1,3,5-trichloro-2-(4-nitrophenoxy)benzene"

Source: chlornitrofen is a herbicide used to control annual weeds in rice.

Identifiers:

IUPAC Name: 1,3,5-trichloro-2-(4-nitrophenoxy)benzene
CAS Number: 1836-77-7
PubChem ID: 15788
InChiKey: XQNAUQUKWRBODG-UHFFFAOYSA-N
Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2Cl)Cl)Cl

Structural Properties:

Molecular Formula: C₁₂H₆Cl₃NO₃
Molecular Weight: 318.540

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 19

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Kojima H, Katsura E, Takeuchi S, Niiyama K, Kobayashi K. 2004. Screening for estrogen and androgen receptor activities in 200 pesticides by in vitro reporter gene assays using Chinese hamster ovary cells. Environ Health Perspect 112(5):524-531.