Chlorothalonil
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CAS Number 1897-45-6
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Catalog Number io-1991
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Classification Aryl Halides
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Molecular Weight 265.9000
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SMILES C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl
| Size | QTY | Notes | |
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Chlorothalonil can cause cancer according to an independent committee of scientific and health experts.
| 1 | CHLOROTHALONIL |
| 2 | Tetrachloroisophthalonitrile |
| 3 | Daconil |
| 4 | Bravo |
| 5 | m-Tcpn |
| Molecular Formula | C8Cl4N2 |
|---|---|
| Canonical SMILES | C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl |
| Isomeric SMILES | C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl |
| Molecular Weight | 265.9000 |
| InChIKey | CRQQGFGUEAVUIL-UHFFFAOYSA-N |
| InChI | InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14 |
| XLogP | 2.9000 |
| ExactMass | 265.8786 |
| MonoisotopicMass | 263.8816 |
| TPSA | 47.6000 |
| Complexity | 284.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 130110 |
| PatentFamilyCount | 42528 |
| LiteratureCount | 2505 |
