1,3-Dichloropropane
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CAS Number 142-28-9
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Catalog Number io-2185
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Classification Halogenated Organic Compounds
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Molecular Weight 112.9800
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SMILES C(CCl)CCl
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1,3-dichloropropane is a chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine. It has a role as an environmental contaminant and a nematicide. It is a chloroalkane and a chlorohydrocarbon.
| 1 | 1,3-DICHLOROPROPANE |
| 2 | Trimethylene dichloride |
| 3 | Propane, 1,3-dichloro- |
| 4 | 1,3-Dichloro-propane |
| 5 | CH2ClCH2CH2Cl |
| Molecular Formula | C3H6Cl2 |
|---|---|
| Canonical SMILES | C(CCl)CCl |
| Isomeric SMILES | C(CCl)CCl |
| Molecular Weight | 112.9800 |
| InChIKey | YHRUOJUYPBUZOS-UHFFFAOYSA-N |
| InChI | InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2 |
| XLogP | 2.0000 |
| ExactMass | 111.9847 |
| MonoisotopicMass | 111.9847 |
| TPSA | 0.0000 |
| Complexity | 12.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 11148 |
| PatentFamilyCount | 4682 |
| LiteratureCount | 325 |
