Hexachlorobenzene
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CAS Number 118-74-1
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Catalog Number io-2470
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Classification Aryl Halides
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Molecular Weight 284.8000
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SMILES C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
| Size | QTY | Notes | |
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Hexachlorobenzene can cause cancer and developmental toxicity according to an independent committee of scientific and health experts.
| 1 | HEXACHLOROBENZENE |
| 2 | Perchlorobenzene |
| 3 | Anticarie |
| 4 | Sanocide |
| 5 | Bunt-cure |
| Molecular Formula | C6Cl6 |
|---|---|
| Canonical SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl |
| Isomeric SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl |
| Molecular Weight | 284.8000 |
| InChIKey | CKAPSXZOOQJIBF-UHFFFAOYSA-N |
| InChI | InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| XLogP | 5.7000 |
| ExactMass | 283.8102 |
| MonoisotopicMass | 281.8131 |
| TPSA | 0.0000 |
| Complexity | 104.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 36868 |
| PatentFamilyCount | 11053 |
| LiteratureCount | 7594 |
