Diquat
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CAS Number 2764-72-9
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Catalog Number io-2296
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Classification Hydrocarbons
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Molecular Weight 184.2400
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SMILES C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31
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Diquat is the organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide. It has a role as a herbicide and a defoliant. It derives from a hydride of a 2,2'-bipyridine.
| 1 | DIQUAT |
| 2 | Diquat dication |
| 3 | 1,1'-Ethylene-2,2'-bipyridylium ion |
| 4 | 9,10-Dihydro-8a,10a-diazoniaphenanthrene |
| 5 | 1,1'-Ethylene-2,2'-bipyridyldylium ion |
| Molecular Formula | C12H12N2+2 |
|---|---|
| Canonical SMILES | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31 |
| Isomeric SMILES | C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31 |
| Molecular Weight | 184.2400 |
| InChIKey | SYJFEGQWDCRVNX-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H12N2/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1/h1-8H,9-10H2/q+2 |
| XLogP | 1.4000 |
| ExactMass | 184.1000 |
| MonoisotopicMass | 184.1000 |
| TPSA | 7.8000 |
| Complexity | 183.0000 |
| Charge | 2.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 26589 |
| PatentFamilyCount | 6164 |
| LiteratureCount | 595 |
