Chloroprene
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CAS Number 126-99-8
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Catalog Number io-1983
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Classification Hydrocarbons
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Molecular Weight 88.5300
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SMILES C=CC(=C)Cl
| Size | QTY | Notes | |
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Chloroprene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC) and The National Toxicology Program.
| 1 | CHLOROPRENE |
| 2 | 2-Chloro-1,3-butadiene |
| 3 | 2-Chlorobuta-1,3-diene |
| 4 | Chlorobutadiene |
| 5 | 2-Chlorobutadiene |
| Molecular Formula | C4H5Cl |
|---|---|
| Canonical SMILES | C=CC(=C)Cl |
| Isomeric SMILES | C=CC(=C)Cl |
| Molecular Weight | 88.5300 |
| InChIKey | YACLQRRMGMJLJV-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2 |
| XLogP | 2.3000 |
| ExactMass | 88.0080 |
| MonoisotopicMass | 88.0080 |
| TPSA | 0.0000 |
| Complexity | 54.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 35844 |
| PatentFamilyCount | 22113 |
| LiteratureCount | 1297 |
