2,4-Dinitrophenol
CAS: 51-28-5
| 1 | 2,4-dinitrophenol |
| 2 | Aldifen |
| 3 | Phenol, 2,4-dinitro- |
| 4 | Nitrophen |
| 5 | Nitrophene |
2,4-dinitrophenol is a dinitrophenol having the nitro groups at the 2- and 4-positions. It has a role as an oxidative phosphorylation inhibitor, a bacterial xenobiotic metabolite, an antiseptic drug, an allergen and a geroprotector. It is a conjugate acid of a 2,4-dinitrophenol(1-).
| Molecular Formula | C6H4N2O5 |
|---|---|
| Canonical SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O |
| Molecular Weight | 184.1100 |
| InChIKey | UFBJCMHMOXMLKC-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H |
| XLogP | 1.7000 |
| ExactMass | 184.0120 |
| MonoisotopicMass | 184.0120 |
| TPSA | 112.0000 |
| Complexity | 220.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 13 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 8950 |
| PatentFamilyCount | 3372 |
| LiteratureCount | 6682 |