2,2',3,3',4,4'-Hexachlorobiphenyl
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CAS Number 11096-82-5
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Catalog Number io-1756
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Classification Aryl Halides
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Molecular Weight 360.9000
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SMILES C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl
| Size | QTY | Notes | |
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No description available for this item
| 1 | 2,2',3,3',4,4'-HEXACHLOROBIPHENYL |
| 2 | 38380-07-3 |
| 3 | AROCLOR 1260 |
| 4 | PCB 128 |
| 5 | 2,3,4,2',3',4'-Hexachlorobiphenyl |
| Molecular Formula | C12H4Cl6 |
|---|---|
| Canonical SMILES | C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl |
| Isomeric SMILES | C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl |
| Molecular Weight | 360.9000 |
| InChIKey | BTAGRXWGMYTPBY-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H |
| XLogP | 7.3000 |
| ExactMass | 359.8415 |
| MonoisotopicMass | 357.8444 |
| TPSA | 0.0000 |
| Complexity | 258.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 187 |
| PatentFamilyCount | 115 |
| LiteratureCount | 235 |
