Methane, oxybis[chloro-
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CAS Number 542-88-1
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Catalog Number io-2625
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Classification Ethers
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Molecular Weight 114.9600
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SMILES C(OCCl)Cl
| Size | QTY | Notes | |
|---|---|---|---|
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Bis(chloromethyl) Ether can cause cancer according to California Labor Code.
| 1 | BIS(CHLOROMETHYL) ETHER |
| 2 | Bis(chloromethyl)ether |
| 3 | Chloro(chloromethoxy)methane |
| 4 | Chloromethyl ether |
| 5 | sym-Dichloromethyl ether |
| Molecular Formula | C2H4Cl2O |
|---|---|
| Canonical SMILES | C(OCCl)Cl |
| Isomeric SMILES | C(OCCl)Cl |
| Molecular Weight | 114.9600 |
| InChIKey | HRQGCQVOJVTVLU-UHFFFAOYSA-N |
| InChI | InChI=1S/C2H4Cl2O/c3-1-5-2-4/h1-2H2 |
| XLogP | 1.5000 |
| ExactMass | 113.9639 |
| MonoisotopicMass | 113.9639 |
| TPSA | 9.2000 |
| Complexity | 15.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 2 |
| HeavyAtomCount | 5 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 3468 |
| PatentFamilyCount | 1684 |
| LiteratureCount | 443 |
