2,4-D 2-ethyl-4-methylpentyl ester
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CAS Number 53404-37-8
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Catalog Number io-2106
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Classification Aryl Halides
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Molecular Weight 333.2000
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SMILES CCC(CC(C)C)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-ethyl-4-methylpentyl ester |
| 2 | (2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate |
| 3 | 6L8R243O1O |
| 4 | Acetic acid, (2,4-dichlorophenoxy)-, 2-ethyl-4-methylpentyl ester |
| 5 | Isooctyl(2-ethyl-4-methylpentyl) 2,4-dichlorophenoxyacetate |
| Molecular Formula | C16H22Cl2O3 |
|---|---|
| Canonical SMILES | CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| Isomeric SMILES | CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| Molecular Weight | 333.2000 |
| InChIKey | FWXSAXJNSVIOLZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H22Cl2O3/c1-4-12(7-11(2)3)9-21-16(19)10-20-15-6-5-13(17)8-14(15)18/h5-6,8,11-12H,4,7,9-10H2,1-3H3 |
| XLogP | 6.0000 |
| ExactMass | 332.0946 |
| MonoisotopicMass | 332.0946 |
| TPSA | 35.5000 |
| Complexity | 310.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 9 |
| HeavyAtomCount | 21 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 0 |
