Molecule ID: 91724

IUPAC Name: 4-(2,3-dichlorophenyl)-1H-pyrrole-3-carbonitrile

Description: The molecule is a member of the class of pyrroles carrying cyano and 2,3-dichlorophenyl substituents at positions 3 and 4 respectively. A fungicide used mainly to control seed-borne pathogens in cereal crops. It has a role as an antifungal agrochemical. It is a member of pyrroles, a nitrile and a dichlorobenzene.

SMILES: N#Cc1c[nH]cc1-c1cccc(Cl)c1Cl

SELFIES: [N][#C][C][=C][NH1][C][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]

InChI: InChI=1S/C11H6Cl2N2/c12-10-3-1-2-8(11(10)13)9-6-15-5-7(9)4-14/h1-3,5-6,15H

Molecular Properties:
- Polar Surface Area: 39.6 Ų
- LogP: 4.3