Chlorobenzene
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CAS Number 108-90-7
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Catalog Number io-1961
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Classification Aryl Halides
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Molecular Weight 112.5500
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SMILES C1=CC=C(C=C1)Cl
| Size | QTY | Notes | |
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Chlorobenzene is the simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine. It has a role as a solvent.
| 1 | CHLOROBENZENE |
| 2 | Monochlorobenzene |
| 3 | Phenyl chloride |
| 4 | Benzene chloride |
| 5 | Chlorbenzene |
| Molecular Formula | C6H5Cl |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)Cl |
| Isomeric SMILES | C1=CC=C(C=C1)Cl |
| Molecular Weight | 112.5500 |
| InChIKey | MVPPADPHJFYWMZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H |
| XLogP | 2.9000 |
| ExactMass | 112.0080 |
| MonoisotopicMass | 112.0080 |
| TPSA | 0.0000 |
| Complexity | 46.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 7 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 191317 |
| PatentFamilyCount | 81369 |
| LiteratureCount | 15292 |
