chlorothalonil

Synonyms: "tetrachloroisophthalonitrile", "daconil", "bravo", "nopcocide", "2,4,5,6-tetrachloroisophthalonitrile", "m-Tcpn", "meta-TCPN", "chloroalonil"

Source: chlorothalonil is a chloronitrile fungicide.

Identifiers:

IUPAC Name: 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
CAS Number: 1897-45-6
PubChem ID: 15910
InChiKey: CRQQGFGUEAVUIL-UHFFFAOYSA-N
Canonical SMILES: C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl

Structural Properties:

Molecular Formula: C₈Cl₄N₂
Molecular Weight: 265.911

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 14

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McMahon T, Halstead N, Johnson S, Raffel TR, Romansic JM, Crumrine PW, Boughton RK, Martin LB, Rohr JR. 2011. The fungicide chlorothalonil is nonlinearly associated with corticosterone levels, immunity, and mortality in amphibians. Environ Health Perspect 119(8):1098-1103.