Biphenyl
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CAS Number 92-52-4
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Catalog Number io-1828
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Classification Hydrocarbons
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Molecular Weight 154.2100
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SMILES C1=CC=C(C=C1)C2=CC=CC=C2
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Biphenyl is a benzenoid aromatic compound that consists of two benzene rings connected by a single covalent bond. Biphenyl occurs naturally in coal tar, crude oil, and natural gas. Formerly used as a fungicide for citrus crops. It has a role as an antimicrobial food preservative and an antifungal agrochemical. It is a member of benzenes, an aromatic fungicide and a member of biphenyls.
| 1 | Biphenyl |
| 2 | 1,1'-Biphenyl |
| 3 | Phenylbenzene |
| 4 | DIPHENYL |
| 5 | Bibenzene |
| Molecular Formula | C12H10 |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)C2=CC=CC=C2 |
| Isomeric SMILES | C1=CC=C(C=C1)C2=CC=CC=C2 |
| Molecular Weight | 154.2100 |
| InChIKey | ZUOUZKKEUPVFJK-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H |
| XLogP | 4.0000 |
| ExactMass | 154.0783 |
| MonoisotopicMass | 154.0783 |
| TPSA | 0.0000 |
| Complexity | 100.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 68423 |
| PatentFamilyCount | 30626 |
| LiteratureCount | 34897 |
