| 1 | naled |
| 2 | Dibrom |
| 3 | Bromchlophos |
| 4 | Bromex |
| 5 | Ortho-Dibrom |
Naled is an dialkyl phosphate resulting from the formal condensation of the acidic hydroxy group of dimethyl hydrogen phosphate with the alcoholic hydroxy group of 1,2-dibromo-2,2-dichloroethanol. An organophosphate insecticide, it is no longer approved for use within the European Union. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inhibitor, an acaricide, an agrochemical, an antibacterial agent and an antifungal agent. It is a dialkyl phosphate, an organophosphate insecticide, an organochlorine compound and an organobromine compound.
| Molecular Formula | C4H7Br2Cl2O4P |
|---|---|
| Canonical SMILES | COP(=O)(OC)OC(C(Cl)(Cl)Br)Br |
| Isomeric SMILES | COP(=O)(OC)OC(C(Cl)(Cl)Br)Br |
| Molecular Weight | 380.7800 |
| InChIKey | BUYMVQAILCEWRR-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3 |
| XLogP | 2.5000 |
| ExactMass | 379.7805 |
| MonoisotopicMass | 377.7826 |
| TPSA | 44.8000 |
| Complexity | 206.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 14451 |
| PatentFamilyCount | 4752 |
| LiteratureCount | 554 |