Dichloroisopropyl ether
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CAS Number 108-60-1
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Catalog Number io-2163
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Classification Ethers
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Molecular Weight 171.0600
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SMILES CC(CCl)OC(C)CCl
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Bis(2-chloro-1-methylethyl)ether, Technical Grade can cause cancer according to an independent committee of scientific and health experts.
| 1 | BIS(2-CHLORO-1-METHYLETHYL) ETHER |
| 2 | 2,2'-Dichlorodiisopropyl ether |
| 3 | DCIP (nematocide) |
| 4 | Dichloroisopropyl ether |
| 5 | Dichlorodiisopropyl ether |
| Molecular Formula | C6H12Cl2O |
|---|---|
| Canonical SMILES | CC(CCl)OC(C)CCl |
| Isomeric SMILES | CC(CCl)OC(C)CCl |
| Molecular Weight | 171.0600 |
| InChIKey | QCFYJCYNJLBDRT-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3 |
| XLogP | 2.1000 |
| ExactMass | 170.0265 |
| MonoisotopicMass | 170.0265 |
| TPSA | 9.2000 |
| Complexity | 60.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 2 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 3221 |
| PatentFamilyCount | 1322 |
| LiteratureCount | 163 |
