2,2',3,3',4-Pentachlorobiphenyl
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CAS Number 11097-69-1
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Catalog Number io-1755
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Classification Aryl Halides
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Molecular Weight 326.4000
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SMILES C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl
| Size | QTY | Notes | |
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No description available for this item
| 1 | AROCLOR 1254 |
| 2 | 2,2',3,3',4-pentachlorobiphenyl |
| 3 | 52663-62-4 |
| 4 | 2,2',3,3',4-Pentachloro-1,1'-biphenyl |
| 5 | PCB 82 |
| Molecular Formula | C12H5Cl5 |
|---|---|
| Canonical SMILES | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)Cl)C2=C(C(=C(C=C2)Cl)Cl)Cl |
| Molecular Weight | 326.4000 |
| InChIKey | AUGNBQPSMWGAJE-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H5Cl5/c13-8-3-1-2-6(10(8)15)7-4-5-9(14)12(17)11(7)16/h1-5H |
| XLogP | 6.7000 |
| ExactMass | 325.8804 |
| MonoisotopicMass | 323.8834 |
| TPSA | 0.0000 |
| Complexity | 259.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 17 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 144 |
| PatentFamilyCount | 67 |
| LiteratureCount | 1124 |
