Pentachlorophenol
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CAS Number 87-86-5
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Catalog Number io-2814
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Classification Aryl Halides
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Molecular Weight 266.3000
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SMILES C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
| Size | QTY | Notes | |
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Pentachlorophenol can cause cancer according to The National Toxicology Program and The Environmental Protection Agency (EPA).
| 1 | pentachlorophenol |
| 2 | 2,3,4,5,6-Pentachlorophenol |
| 3 | Chlorophen |
| 4 | Lauxtol |
| 5 | Permite |
| Molecular Formula | C6HCl5O |
|---|---|
| Canonical SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O |
| Isomeric SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O |
| Molecular Weight | 266.3000 |
| InChIKey | IZUPBVBPLAPZRR-UHFFFAOYSA-N |
| InChI | InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| XLogP | 5.1000 |
| ExactMass | 265.8441 |
| MonoisotopicMass | 263.8470 |
| TPSA | 20.2000 |
| Complexity | 150.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 74940 |
| PatentFamilyCount | 34842 |
| LiteratureCount | 8971 |
