Molecule ID: 25200425

IUPAC Name: 3,4,6-trichloro-2-hydroxyphenolate

Description: The molecule is a phenolate anion resulting from the deprotonation is of the hydroxy group at position 4 of 3,4,6-trichlorocatechol. The major microspecies at pH 7.3. It is a conjugate base of a 3,4,6-trichlorocatechol.

SMILES: [O-]c1c(Cl)cc(Cl)c(Cl)c1O

SELFIES: [O-1][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][=Branch2][O]

InChI: InChI=1S/C6H3Cl3O2/c7-2-1-3(8)5(10)6(11)4(2)9/h1,10-11H/p-1

Molecular Properties:
- Polar Surface Area: 43.3 Ų
- LogP: 3.5