Molecule ID: 992

IUPAC Name: 2,3,4,5,6-pentachlorophenol

Description: The molecule is a chlorophenol that is phenol substituted by 5 chloro groups. It has a role as a human xenobiotic metabolite. It is an organochlorine pesticide, a member of pentachlorobenzenes, an aromatic fungicide and a chlorophenol. It derives from a pentachlorobenzene. It is a conjugate acid of a pentachlorophenolate.

SMILES: Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

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

InChI: InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.1