2,5-Dinitrophenol
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CAS Number 329-71-5
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Catalog Number io-2270
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Classification Nitro
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Molecular Weight 184.1100
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SMILES C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]
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2,5-dinitrophenol is a dinitrophenol having the nitro groups at the 2- and 5-positions.
| 1 | 2,5-DINITROPHENOL |
| 2 | Phenol, 2,5-dinitro- |
| 3 | gamma-Dinitrophenol |
| 4 | 2,5-DNP |
| 5 | 2,5-Dinitrofenol |
| Molecular Formula | C6H4N2O5 |
|---|---|
| Canonical SMILES | C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-] |
| Isomeric SMILES | C1=CC(=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-] |
| Molecular Weight | 184.1100 |
| InChIKey | UWEZBKLLMKVIPI-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H4N2O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H |
| XLogP | 1.8000 |
| 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 | 1032 |
| PatentFamilyCount | 361 |
| LiteratureCount | 190 |
