Molecule ID: 8326

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

Description: The molecule is a cyclic dicarboxylic anhydride that is phthalic anhydride chlorinated at the 4-, 5-, 6- and 7-positions. It has a role as a cross-linking reagent and an allergen. It is a cyclic dicarboxylic anhydride and a tetrachlorobenzene. It derives from a phthalic anhydride.

SMILES: O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21

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

InChI: InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 3.8