3-Chloro-2-methyl-1-propene
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CAS Number 563-47-3
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Catalog Number io-1977
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Classification Halogenated Organic Compounds
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Molecular Weight 90.5500
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SMILES CC(=C)CCl
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3-Chloro-2-methylpropene can cause cancer according to an independent committee of scientific and health experts.
| 1 | 3-Chloro-2-methylpropene |
| 2 | 3-Chloro-2-methylprop-1-ene |
| 3 | Methallyl chloride |
| 4 | 3-CHLORO-2-METHYL-1-PROPENE |
| 5 | 2-Methylallyl chloride |
| Molecular Formula | C4H7Cl |
|---|---|
| Canonical SMILES | CC(=C)CCl |
| Isomeric SMILES | CC(=C)CCl |
| Molecular Weight | 90.5500 |
| InChIKey | OHXAOPZTJOUYKM-UHFFFAOYSA-N |
| InChI | InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3 |
| XLogP | 2.1000 |
| ExactMass | 90.0236 |
| MonoisotopicMass | 90.0236 |
| TPSA | 0.0000 |
| Complexity | 38.0000 |
| 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 | 9777 |
| PatentFamilyCount | 4138 |
| LiteratureCount | 400 |
