Molecule ID: 86289350

IUPAC Name: 3,6-dichloro-2-hydroxyphenolate

Description: The molecule is a phenolate anion that is the conjugate base of 3,6-dichlorocatechol, obtained by deprotonation of one of the twophenolic hydroxy groups. Major structure at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 3,6-dichlorocatechol.

SMILES: [O-]c1c(Cl)ccc(Cl)c1O

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

InChI: InChI=1S/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H/p-1

Molecular Properties:
- Polar Surface Area: 43.3 Ų
- LogP: 3.4