Molecule ID: 71714410

IUPAC Name: 2-(2,4-dichlorophenoxy)acetate;2-hydroxyethyl(trimethyl)azanium

Description: The molecule is a quaternary ammonium salt resulting from the reaction of 2,4-D with choline. It is a post-emergence herbicide used for selective control of broadleaf weeds. It has a role as a phenoxy herbicide, a synthetic auxin and an agrochemical. It contains a (2,4-dichlorophenoxy)acetate.

SMILES: C[N+](C)(C)CCO.O=C([O-])COc1ccc(Cl)cc1Cl

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

InChI: InChI=1S/C8H6Cl2O3.C5H14NO/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-6(2,3)4-5-7/h1-3H,4H2,(H,11,12);7H,4-5H2,1-3H3/q;+1/p-1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: nan