Dichlobenil
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CAS Number 1194-65-6
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Catalog Number io-2136
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Classification Aryl Halides
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Molecular Weight 172.0100
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SMILES C1=CC(=C(C(=C1)Cl)C#N)Cl
| Size | QTY | Notes | |
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2,6-dichlorobenzonitrile is a nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide. It has a role as a herbicide, an agrochemical, a cellulose synthesis inhibitor, a xenobiotic and an environmental contaminant. It is a nitrile and a dichlorobenzene. It is functionally related to a benzonitrile.
| 1 | 2,6-Dichlorobenzonitrile |
| 2 | dichlobenil |
| 3 | Benzonitrile, 2,6-dichloro- |
| 4 | Dichlobanil |
| 5 | Casoron |
| Molecular Formula | C7H3Cl2N |
|---|---|
| Canonical SMILES | C1=CC(=C(C(=C1)Cl)C#N)Cl |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)C#N)Cl |
| Molecular Weight | 172.0100 |
| InChIKey | YOYAIZYFCNQIRF-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H |
| XLogP | 2.7000 |
| ExactMass | 170.9643 |
| MonoisotopicMass | 170.9643 |
| TPSA | 23.8000 |
| Complexity | 150.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 23642 |
| PatentFamilyCount | 6798 |
| LiteratureCount | 900 |
