o-Nitroanisole
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CAS Number 91-23-6
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Catalog Number io-2729
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Classification Ethers
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Molecular Weight 153.1400
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SMILES COC1=CC=CC=C1[N+](=O)[O-]
| Size | QTY | Notes | |
|---|---|---|---|
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Add |
o-Nitroanisole can cause cancer according to The National Toxicology Program.
| 1 | 2-Nitroanisole |
| 2 | 1-Methoxy-2-nitrobenzene |
| 3 | O-NITROANISOLE |
| 4 | 1-Nitro-2-methoxybenzene |
| 5 | Anisole, o-nitro- |
| Molecular Formula | C7H7NO3 |
|---|---|
| Canonical SMILES | COC1=CC=CC=C1[N+](=O)[O-] |
| Isomeric SMILES | COC1=CC=CC=C1[N+](=O)[O-] |
| Molecular Weight | 153.1400 |
| InChIKey | CFBYEGUGFPZCNF-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H7NO3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3 |
| XLogP | 1.7000 |
| ExactMass | 153.0426 |
| MonoisotopicMass | 153.0426 |
| TPSA | 55.0000 |
| Complexity | 143.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 2587 |
| PatentFamilyCount | 1216 |
| LiteratureCount | 350 |
