Molecule ID: 33791

IUPAC Name: 4,5,6,7-tetrachloro-3H-2-benzofuran-1-one

Description: The molecule is a member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one in which all or the hydrogens attached to the benzene ring are replaced by chlorines. A fungicide used for the control of rice blast, it is not approved for use within the European Union. It has a role as a melanin synthesis inhibitor and an antifungal agrochemical. It is a propan-1-ol, a gamma-lactone, a tetrachlorobenzene and an organic heterobicyclic compound. It derives from a 2-benzofuran-1(3H)-one.

SMILES: O=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21

SELFIES: [O][=C][O][C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][#Branch2][Ring1][=N]

InChI: InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.2