Quintozene
CAS: 82-68-8
| 1 | PENTACHLORONITROBENZENE |
| 2 | Quintozene |
| 3 | PCNB |
| 4 | 1,2,3,4,5-Pentachloro-6-nitrobenzene |
| 5 | Brassicol |
Pentachloronitrobenzene is a C-nitro compound that is nitrobenzene in which every hydrogen has been replaced by a chlorine. A fungicide used on a variety of crops, including cotton, rice and seed grains, it is no longer approved for use within the European Union. It has a role as an antifungal agrochemical. It is a C-nitro compound, a member of pentachlorobenzenes and an aromatic fungicide.
| Molecular Formula | C6Cl5NO2 |
|---|---|
| Canonical SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-] |
| Isomeric SMILES | C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-] |
| Molecular Weight | 295.3000 |
| InChIKey | LKPLKUMXSAEKID-UHFFFAOYSA-N |
| InChI | InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9 |
| XLogP | 4.2000 |
| ExactMass | 294.8342 |
| MonoisotopicMass | 292.8372 |
| TPSA | 45.8000 |
| Complexity | 219.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 36640 |
| PatentFamilyCount | 10231 |
| LiteratureCount | 1742 |