Polychlorinated biphenyls
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CAS Number 1336-36-3
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Catalog Number io-2881
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Classification Aryl Halides
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Molecular Weight 360.9000
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SMILES C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl
| Size | QTY | Notes | |
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3,4,5,3',4',5'-Hexachlorobiphenyl is a trichlorobenzene and a hexachlorobiphenyl.
| 1 | 3,3',4,4',5,5'-Hexachlorobiphenyl |
| 2 | 32774-16-6 |
| 3 | PCB 169 |
| 4 | 3,4,5,3',4',5'-HEXACHLOROBIPHENYL |
| 5 | HSDB 3948 |
| Molecular Formula | C12H4Cl6 |
|---|---|
| Canonical SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl |
| Isomeric SMILES | C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl |
| Molecular Weight | 360.9000 |
| InChIKey | ZHLICBPIXDOFFG-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H |
| XLogP | 7.4000 |
| ExactMass | 359.8415 |
| MonoisotopicMass | 357.8444 |
| TPSA | 0.0000 |
| Complexity | 234.0000 |
| 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 | 155 |
| PatentFamilyCount | 76 |
| LiteratureCount | 310 |
