Naled
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CAS Number 300-76-5
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Catalog Number io-2703
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Classification Esters
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Molecular Weight 380.7800
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SMILES COP(=O)(OC)OC(C(Cl)(Cl)Br)Br
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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.
1 | naled |
2 | Dibrom |
3 | Bromchlophos |
4 | Bromex |
5 | Ortho-Dibrom |
Molecular Formula | C4H7Br2Cl2O4P |
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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 |