Molecule ID: 3636092

IUPAC Name: 4-(2,4-dichlorophenoxy)butanoate

Description: The molecule is a monocarboxylic acid anion resulting from the dprotonation of the carboxy group of 4-(2,4-dichlorophenoxy)butanoic acid (2,4-DB). The major species at pH 7.3. It has a role as an agrochemical, a herbicide and a synthetic auxin. It is a conjugate base of a 2,4-DB.

SMILES: O=C([O-])CCCOc1ccc(Cl)cc1Cl

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

InChI: InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14)/p-1

Molecular Properties:
- Polar Surface Area: 49.4 Ų
- LogP: 4.2