Paraquat dichloride
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CAS Number 1910-42-5
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Catalog Number io-2798
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Classification Quaternary Ammonium and Phosphonium Salts
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Molecular Weight 257.1600
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SMILES C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]
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Paraquat dichloride is an organic chloride salt. It has a role as a herbicide and a photosystem-I inhibitor. It contains a paraquat.
| 1 | Paraquat dichloride |
| 2 | Methyl viologen |
| 3 | 1,1'-Dimethyl-4,4'-bipyridinium dichloride |
| 4 | Methyl viologen dichloride |
| 5 | Paraquat-dichloride |
| Molecular Formula | C12H14Cl2N2 |
|---|---|
| Canonical SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-] |
| Isomeric SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-] |
| Molecular Weight | 257.1600 |
| InChIKey | FIKAKWIAUPDISJ-UHFFFAOYSA-L |
| InChI | InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2 |
| XLogP | 0.0000 |
| ExactMass | 256.0534 |
| MonoisotopicMass | 256.0534 |
| TPSA | 7.8000 |
| Complexity | 145.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 3 |
| PatentCount | 29579 |
| PatentFamilyCount | 9895 |
| LiteratureCount | 16279 |
