3-Chlorobiphenyl
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CAS Number 11104-28-2
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Catalog Number io-1751
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Classification Aryl Halides
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Molecular Weight 188.6500
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SMILES C1=CC=C(C=C1)C2=CC(=CC=C2)Cl
| Size | QTY | Notes | |
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3-chlorobiphenyl is a monochlorobiphenyl.
| 1 | 3-CHLOROBIPHENYL |
| 2 | 2051-61-8 |
| 3 | m-Chlorobiphenyl |
| 4 | 3-Chloro-1,1'-biphenyl |
| 5 | 1-chloro-3-phenylbenzene |
| Molecular Formula | C12H9Cl |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)C2=CC(=CC=C2)Cl |
| Isomeric SMILES | C1=CC=C(C=C1)C2=CC(=CC=C2)Cl |
| Molecular Weight | 188.6500 |
| InChIKey | NMWSKOLWZZWHPL-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
| XLogP | 4.6000 |
| ExactMass | 188.0393 |
| MonoisotopicMass | 188.0393 |
| TPSA | 0.0000 |
| Complexity | 149.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1979 |
| PatentFamilyCount | 921 |
| LiteratureCount | 306 |
