Octachloronaphthalene
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CAS Number 2234-13-1
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Catalog Number io-2779
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Classification Aryl Halides
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Molecular Weight 403.7000
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SMILES C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
| Size | QTY | Notes | |
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No description available for this item
| 1 | OCTACHLORONAPHTHALENE |
| 2 | Perchloronaphthalene |
| 3 | Naphthalene, octachloro- |
| 4 | Perna |
| 5 | 1,2,3,4,5,6,7,8-Octachloronaphthalene |
| Molecular Formula | C10Cl8 |
|---|---|
| Canonical SMILES | C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl |
| Isomeric SMILES | C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl |
| Molecular Weight | 403.7000 |
| InChIKey | RTNLUFLDZOAXIC-UHFFFAOYSA-N |
| InChI | InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12 |
| XLogP | 8.2000 |
| ExactMass | 403.7449 |
| MonoisotopicMass | 399.7508 |
| TPSA | 0.0000 |
| Complexity | 254.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 955 |
| PatentFamilyCount | 435 |
| LiteratureCount | 523 |
