Molecule ID: 10915750

IUPAC Name: 1-(4-chlorophenyl)-5-(2-methoxyethoxy)-4-oxocinnoline-3-carboxylic acid

Description: The molecule is a member of the class of cinnolines that is 1-(p-chlorophenyl)cinnolin-4-one which is substituted at positions 3 and 5 by carboxy and 2-methoxyethoxy groups, respectively. It is a chemical hybridisation agent, used for the sterilisation of wheat. It has a role as a chemical hybridisation agent. It is a member of cinnolines, a monocarboxylic acid, a member of monochlorobenzenes and an aromatic ether.

SMILES: COCCOc1cccc2c1c(=O)c(C(=O)O)nn2-c1ccc(Cl)cc1

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

InChI: InChI=1S/C18H15ClN2O5/c1-25-9-10-26-14-4-2-3-13-15(14)17(22)16(18(23)24)20-21(13)12-7-5-11(19)6-8-12/h2-8H,9-10H2,1H3,(H,23,24)

Molecular Properties:
- Polar Surface Area: 88.4 Ų
- LogP: 3.9