2,3,4,6-Tetrachlorophenol
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CAS Number 58-90-2
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Catalog Number io-3069
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Classification Acids
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Molecular Weight 231.9000
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SMILES C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl
| Size | QTY | Notes | |
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2,3,4,6-tetrachlorophenol is a tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6. It has a role as a xenobiotic metabolite.
| 1 | 2,3,4,6-TETRACHLOROPHENOL |
| 2 | Dowicide 6 |
| 3 | 2,4,5,6-Tetrachlorophenol |
| 4 | Phenol, 2,3,4,6-tetrachloro- |
| 5 | Chlorophenols |
| Molecular Formula | C6H2Cl4O |
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| Canonical SMILES | C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl |
| Isomeric SMILES | C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl |
| Molecular Weight | 231.9000 |
| InChIKey | VGVRPFIJEJYOFN-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H |
| XLogP | 4.5000 |
| ExactMass | 231.8830 |
| MonoisotopicMass | 229.8860 |
| TPSA | 20.2000 |
| Complexity | 143.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 3430 |
| PatentFamilyCount | 1759 |
| LiteratureCount | 1966 |
