Ethyl 2-chloro-2-methylpropanoate
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CAS Number 62554-44-3
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Catalog Number io-406941
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Molecular Weight 150.6000
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SMILES
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| 1 | ethyl 2-chloro-2-methylpropanoate |
| 2 | DTXSID90394687 |
| 3 | RefChem:1084795 |
| 4 | DTXCID80345547 |
| 5 | Propanoic acid, 2-chloro-2-methyl-, ethyl ester |
| Molecular Formula | C6H11ClO2 |
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| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 150.6000 |
| InChIKey | ARQNAXVQDYBTEE-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H11ClO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3 |
| XLogP | 1.7000 |
| ExactMass | 150.0448 |
| MonoisotopicMass | 150.0448 |
| TPSA | 26.3000 |
| Complexity | 110.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 3 |
| HeavyAtomCount | 9 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 330 |
| PatentFamilyCount | 111 |
| LiteratureCount | 0 |
