Methoxychlor
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CAS Number 72-43-5
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Catalog Number io-2640
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Classification Ethers
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Molecular Weight 345.6000
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SMILES COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl
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Methoxychlor is an organochlorine insecticide. It is functionally related to a 1,1,1-trichloro-2,2-diphenylethane.
| 1 | methoxychlor |
| 2 | DMDT |
| 3 | p,p'-Methoxychlor |
| 4 | Dimethoxy-DDT |
| 5 | Methoxy-DDT |
| Molecular Formula | C16H15Cl3O2 |
|---|---|
| Canonical SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl |
| Isomeric SMILES | COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl |
| Molecular Weight | 345.6000 |
| InChIKey | IAKOZHOLGAGEJT-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3 |
| XLogP | 5.1000 |
| ExactMass | 344.0138 |
| MonoisotopicMass | 344.0138 |
| TPSA | 18.5000 |
| Complexity | 279.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 21 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 23417 |
| PatentFamilyCount | 6366 |
| LiteratureCount | 2914 |
