Molecule ID: 7551

IUPAC Name: 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate

Description: The molecule is a carbamate ester that is 4-chlorobut-2-yn-1-yl ester of N-(3-chlorophenyl)carbamic acid. A herbicide, it is no longer approved for use within the European Community. It has a role as a herbicide. It is a carbamate ester, an acetylenic compound and a member of monochlorobenzenes.

SMILES: OC(=Nc1cccc(Cl)c1)OCC#CCCl

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

InChI: InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)

Molecular Properties:
- Polar Surface Area: 38.3 Ų
- LogP: 3.2