Molecule ID: 12771

IUPAC Name: 2,6-dichlorocyclohexa-2,5-diene-1,4-dione

Description: The molecule is a member of the class of 1,4-benzoquinones that is p-benzoquinone in which the hydrogens at positions 2 and 6 have been replaced by chlorines. A highly toxic and carcinogenic disinfection by-product found in drinking water. It has a role as a carcinogenic agent and a poison. It is a member of 1,4-benzoquinones and an organochlorine compound.

SMILES: O=C1C=C(Cl)C(=O)C(Cl)=C1

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

InChI: InChI=1S/C6H2Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2H

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 1.7