4-Nitrobenzonitrile
CAS: 619-72-7
| 1 | 4-Nitrobenzonitrile |
| 2 | Benzonitrile, 4-nitro- |
| 3 | 4-Cyanonitrobenzene |
| 4 | P-NITROBENZONITRILE |
| 5 | p-Cyanonitrobenzene |
No description available for this item
| Molecular Formula | C7H4N2O2 |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 148.1200 |
| InChIKey | NKJIFDNZPGLLSH-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H |
| XLogP | 1.2000 |
| ExactMass | 148.0273 |
| MonoisotopicMass | 148.0273 |
| TPSA | 69.6000 |
| Complexity | 192.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 2803 |
| PatentFamilyCount | 1193 |
| LiteratureCount | 236 |