Diquat
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CAS Number 85-00-7
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Catalog Number io-2295
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Classification Hydrocarbons
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Molecular Weight 344.0400
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SMILES C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | DIQUAT DIBROMIDE |
| 2 | Aquacide |
| 3 | Reglon |
| 4 | Reglox |
| 5 | Deiquat |
| Molecular Formula | C12H12Br2N2 |
|---|---|
| Canonical SMILES | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-] |
| Isomeric SMILES | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-] |
| Molecular Weight | 344.0400 |
| InChIKey | ODPOAESBSUKMHD-UHFFFAOYSA-L |
| InChI | InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2 |
| XLogP | 0.0000 |
| ExactMass | 343.9347 |
| MonoisotopicMass | 341.9367 |
| TPSA | 7.8000 |
| Complexity | 183.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 16896 |
| PatentFamilyCount | 7460 |
| LiteratureCount | 3191 |
