Molecule ID: 57483975

IUPAC Name: azanium;2-(2,3,6-trichlorophenyl)acetate

Description: The molecule is an ammonium salt comprising equimolar amounts of chlorfenac(1-) anions and ammonium cations. An obsolete herbicide. It has a role as an agrochemical, a herbicide and a synthetic auxin. It contains a chlorfenac(1-).

SMILES: N.O=C(O)Cc1c(Cl)ccc(Cl)c1Cl

SELFIES: [N].[O][=C][Branch1][C][O][C][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Cl]

InChI: InChI=1S/C8H5Cl3O2.H3N/c9-5-1-2-6(10)8(11)4(5)3-7(12)13;/h1-2H,3H2,(H,12,13);1H3

Molecular Properties:
- Polar Surface Area: 41.1 Ų
- LogP: nan