Chlorimuron-ethyl
CAS: 90982-32-4
| 1 | CHLORIMURON-ETHYL |
| 2 | Chlorimuron ethyl |
| 3 | Chlorimuron ethyl ester |
| 4 | Classic |
| 5 | Caswell No. 193B |
Chlorimuron-ethyl is an ethyl ester resulting from the formal condensation of the carboxy group of chlorimuron with ethanol. A proherbicide for chloimuron, it is used as herbicide for the control of broad-leaved weeds in peanuts, soya beans, and other crops. It has a role as a proherbicide, an EC 2.2.1.6 (acetolactate synthase) inhibitor and an agrochemical. It is a sulfamoylbenzoate, a N-sulfonylurea, an aromatic ether, an ethyl ester, an organochlorine pesticide and a member of pyrimidines. It is functionally related to a chlorimuron. It is a conjugate acid of a chlorimuron-ethyl(1-).
| Molecular Formula | C15H15ClN4O6S |
|---|---|
| Canonical SMILES | CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC |
| Isomeric SMILES | CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC |
| Molecular Weight | 414.8000 |
| InChIKey | NSWAMPCUPHPTTC-UHFFFAOYSA-N |
| InChI | InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22) |
| XLogP | 2.7000 |
| ExactMass | 414.0401 |
| MonoisotopicMass | 414.0401 |
| TPSA | 145.0000 |
| Complexity | 628.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 2 |
| HBondAcceptorCount | 8 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 27 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 18191 |
| PatentFamilyCount | 4245 |
| LiteratureCount | 358 |