2-Chlorophenol
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CAS Number 95-57-8
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Catalog Number io-1980
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Classification Acids
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Molecular Weight 128.5500
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SMILES C1=CC=C(C(=C1)O)Cl
| Size | QTY | Notes | |
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2-chlorophenol is a monochlorophenol and a 2-halophenol.
| 1 | 2-CHLOROPHENOL |
| 2 | o-Chlorophenol |
| 3 | Phenol, 2-chloro- |
| 4 | 2-Hydroxychlorobenzene |
| 5 | o-Chlorphenol |
| Molecular Formula | C6H5ClO |
|---|---|
| Canonical SMILES | C1=CC=C(C(=C1)O)Cl |
| Isomeric SMILES | C1=CC=C(C(=C1)O)Cl |
| Molecular Weight | 128.5500 |
| InChIKey | ISPYQTSUDJAMAB-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H |
| XLogP | 2.1000 |
| ExactMass | 128.0029 |
| MonoisotopicMass | 128.0029 |
| TPSA | 20.2000 |
| Complexity | 74.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 73863 |
| PatentFamilyCount | 36721 |
| LiteratureCount | 6805 |
