2,4-D 2-ethylhexyl ester
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CAS Number 1928-43-4
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Catalog Number io-2105
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Classification Aryl Halides
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Molecular Weight 333.2000
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SMILES CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | 2,4-D 2-Ethylhexyl ester |
| 2 | 2,4-D-2-ethylhexyl |
| 3 | 2-Ethylhexyl 2,4-dichlorophenoxyacetate |
| 4 | 2-Ethylhexyl (2,4-dichlorophenoxy)acetate |
| 5 | 2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate |
| Molecular Formula | C16H22Cl2O3 |
|---|---|
| Canonical SMILES | CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| Isomeric SMILES | CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| Molecular Weight | 333.2000 |
| InChIKey | QZSFJRIWRPJUOH-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3 |
| XLogP | 6.3000 |
| ExactMass | 332.0946 |
| MonoisotopicMass | 332.0946 |
| TPSA | 35.5000 |
| Complexity | 299.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 10 |
| HeavyAtomCount | 21 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1756 |
| PatentFamilyCount | 422 |
| LiteratureCount | 37 |
