Molecule ID: 41097979

IUPAC Name: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate

Description: The molecule is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of benazolin. It is a conjugate base of a benazolin.

SMILES: O=C([O-])Cn1c(=O)sc2cccc(Cl)c21

SELFIES: [O][=C][Branch1][C][O-1][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Ring1][O]

InChI: InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)/p-1

Molecular Properties:
- Polar Surface Area: 85.7 Ų
- LogP: 2.7