4-Nitrobiphenyl
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CAS Number 92-93-3
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Catalog Number io-2731
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Classification Hydrocarbons
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Molecular Weight 199.2000
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SMILES C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]
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4-Nitrobiphenyl can cause cancer according to an independent committee of scientific and health experts.
| 1 | 4-Nitrobiphenyl |
| 2 | P-NITROBIPHENYL |
| 3 | 4-Nitro-1,1'-biphenyl |
| 4 | 1-Nitro-4-phenylbenzene |
| 5 | 1,1'-Biphenyl, 4-nitro- |
| Molecular Formula | C12H9NO2 |
|---|---|
| Canonical SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
| Isomeric SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-] |
| Molecular Weight | 199.2000 |
| InChIKey | BAJQRLZAPXASRD-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H |
| XLogP | 3.8000 |
| ExactMass | 199.0633 |
| MonoisotopicMass | 199.0633 |
| TPSA | 45.8000 |
| Complexity | 210.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1923 |
| PatentFamilyCount | 920 |
| LiteratureCount | 484 |
