2-Cyclohexyl-4,6-dinitrophenol
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CAS Number 131-89-5
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Catalog Number io-2072
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Classification Nitro
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Molecular Weight 266.2500
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SMILES C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O
| Size | QTY | Notes | |
|---|---|---|---|
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Dinex is a ring assembly and an alkylbenzene.
| 1 | Dinex |
| 2 | 2-Cyclohexyl-4,6-dinitrophenol |
| 3 | Phenol, 2-cyclohexyl-4,6-dinitro- |
| 4 | DNOCHP |
| 5 | Dinitrocyclohexylphenol |
| Molecular Formula | C12H14N2O5 |
|---|---|
| Canonical SMILES | C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O |
| Isomeric SMILES | C1CCC(CC1)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O |
| Molecular Weight | 266.2500 |
| InChIKey | QJYHUJAGJUHXJN-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H14N2O5/c15-12-10(8-4-2-1-3-5-8)6-9(13(16)17)7-11(12)14(18)19/h6-8,15H,1-5H2 |
| XLogP | 4.3000 |
| ExactMass | 266.0903 |
| MonoisotopicMass | 266.0903 |
| TPSA | 112.0000 |
| Complexity | 345.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 5 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 19 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 5527 |
| PatentFamilyCount | 1125 |
| LiteratureCount | 85 |
