2,3,6-Trichlorophenol
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CAS Number 933-75-5
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Catalog Number io-3151
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Classification Acids
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Molecular Weight 197.4000
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SMILES C1=CC(=C(C(=C1Cl)O)Cl)Cl
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | 2,3,6-TRICHLOROPHENOL |
| 2 | Phenol, 2,3,6-trichloro- |
| 3 | AE2CMR564U |
| 4 | DTXSID5026209 |
| 5 | DTXCID606209 |
| Molecular Formula | C6H3Cl3O |
|---|---|
| Canonical SMILES | C1=CC(=C(C(=C1Cl)O)Cl)Cl |
| Isomeric SMILES | C1=CC(=C(C(=C1Cl)O)Cl)Cl |
| Molecular Weight | 197.4000 |
| InChIKey | XGCHAIDDPMFRLJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H |
| XLogP | 3.8000 |
| ExactMass | 195.9249 |
| MonoisotopicMass | 195.9249 |
| TPSA | 20.2000 |
| Complexity | 120.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 490 |
| PatentFamilyCount | 223 |
| LiteratureCount | 182 |
