Nitrofen
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CAS Number 1836-75-5
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Catalog Number io-2733
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Classification Aryl Halides
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Molecular Weight 284.0900
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SMILES C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl
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Nitrofen (Technical Grade) can cause cancer according to an independent committee of scientific and health experts.
| 1 | NITROFEN |
| 2 | 2,4-Dichloro-1-(4-nitrophenoxy)benzene |
| 3 | Nitrochlor |
| 4 | Niclofen |
| 5 | Trizilin |
| Molecular Formula | C12H7Cl2NO3 |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl |
| Isomeric SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl |
| Molecular Weight | 284.0900 |
| InChIKey | XITQUSLLOSKDTB-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H |
| XLogP | 4.3000 |
| ExactMass | 282.9803 |
| MonoisotopicMass | 282.9803 |
| TPSA | 55.0000 |
| Complexity | 290.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 12704 |
| PatentFamilyCount | 3023 |
| LiteratureCount | 1051 |
