Diethyl-p-nitrophenyl phosphate
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CAS Number 311-45-5
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Catalog Number io-2216
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Classification Esters
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Molecular Weight 275.1900
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SMILES CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
| Size | QTY | Notes | |
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Paraoxon is an aryl dialkyl phosphate where both the alkyl groups are ethyl and the aryl group is 4-nitrophenyl. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a mouse metabolite. It is an aryl dialkyl phosphate and an organophosphate insecticide.
| 1 | PARAOXON |
| 2 | Phosphacol |
| 3 | Diethyl paraoxon |
| 4 | Diethyl 4-nitrophenyl phosphate |
| 5 | Diethyl p-nitrophenyl phosphate |
| Molecular Formula | C10H14NO6P |
|---|---|
| Canonical SMILES | CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| Isomeric SMILES | CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-] |
| Molecular Weight | 275.1900 |
| InChIKey | WYMSBXTXOHUIGT-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3 |
| XLogP | 2.0000 |
| ExactMass | 275.0559 |
| MonoisotopicMass | 275.0559 |
| TPSA | 90.6000 |
| Complexity | 300.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 6 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 9452 |
| PatentFamilyCount | 3288 |
| LiteratureCount | 4735 |
