m-Dinitrobenzene
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CAS Number 99-65-0
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Catalog Number io-2261
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Classification Nitro
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Molecular Weight 168.1100
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SMILES C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]
| Size | QTY | Notes | |
|---|---|---|---|
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Add |
m-Dinitrobenzene can cause male reproductive toxicity according to The Environmental Protection Agency (EPA).
| 1 | 1,3-Dinitrobenzene |
| 2 | M-DINITROBENZENE |
| 3 | 2,4-Dinitrobenzene |
| 4 | meta-Dinitrobenzene |
| 5 | Benzene, 1,3-dinitro- |
| Molecular Formula | C6H4N2O4 |
|---|---|
| Canonical SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| Isomeric SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| Molecular Weight | 168.1100 |
| InChIKey | WDCYWAQPCXBPJA-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H |
| XLogP | 1.5000 |
| ExactMass | 168.0171 |
| MonoisotopicMass | 168.0171 |
| TPSA | 91.6000 |
| Complexity | 175.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 12 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 32804 |
| PatentFamilyCount | 15105 |
| LiteratureCount | 2646 |
