Molecule ID: 25202248

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

Description: The molecule is a phenolate anion that is 2,3,5-trichlorobenzene-1,4-diol in which the hydroxy group that is ortho- to two chlorines has undergone deprotonation. The major species at pH 7.3. It is a conjugate base of a 2,3,5-trichlorobenzene-1,4-diol.

SMILES: [O-]c1cc(Cl)c(O)c(Cl)c1Cl

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

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

Molecular Properties:
- Polar Surface Area: 43.3 Ų
- LogP: 3.9