p-Chlorophenyl isocyanate
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CAS Number 104-12-1
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Catalog Number io-1981
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Classification Aryl Halides
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Molecular Weight 153.5600
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SMILES C1=CC(=CC=C1N=C=O)Cl
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | 4-Chlorophenyl isocyanate |
| 2 | 1-Chloro-4-isocyanatobenzene |
| 3 | p-Chlorophenyl isocyanate |
| 4 | Benzene, 1-chloro-4-isocyanato- |
| 5 | 4-Chloroisocyanatobenzene |
| Molecular Formula | C7H4ClNO |
|---|---|
| Canonical SMILES | C1=CC(=CC=C1N=C=O)Cl |
| Isomeric SMILES | C1=CC(=CC=C1N=C=O)Cl |
| Molecular Weight | 153.5600 |
| InChIKey | ADAKRBAJFHTIEW-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H |
| XLogP | 3.3000 |
| ExactMass | 152.9981 |
| MonoisotopicMass | 152.9981 |
| TPSA | 29.4000 |
| Complexity | 146.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 10 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 8368 |
| PatentFamilyCount | 3000 |
| LiteratureCount | 210 |
