Allyl chloride
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CAS Number 107-05-1
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Catalog Number io-1683
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Classification Halogenated Organic Compounds
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Molecular Weight 76.5200
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SMILES C=CCCl
| Size | QTY | Notes | |
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Allyl chloride is an organochlorine compound.
| 1 | ALLYL CHLORIDE |
| 2 | 3-Chloro-1-propene |
| 3 | 3-chloroprop-1-ene |
| 4 | 1-Propene, 3-chloro- |
| 5 | 3-Chloropropene |
| Molecular Formula | C3H5Cl |
|---|---|
| Canonical SMILES | C=CCCl |
| Isomeric SMILES | C=CCCl |
| Molecular Weight | 76.5200 |
| InChIKey | OSDWBNJEKMUWAV-UHFFFAOYSA-N |
| InChI | InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2 |
| XLogP | 1.5000 |
| ExactMass | 76.0080 |
| MonoisotopicMass | 76.0080 |
| TPSA | 0.0000 |
| Complexity | 17.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 4 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 49434 |
| PatentFamilyCount | 22136 |
| LiteratureCount | 1661 |
