2,4-D Esters
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CAS Number 1928-38-7
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Catalog Number io-2084
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Classification Aryl Halides
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Molecular Weight 235.0600
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SMILES COC(=O)COC1=C(C=C(C=C1)Cl)Cl
| Size | QTY | Notes | |
|---|---|---|---|
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| 1 | 2,4-D methyl ester |
| 2 | Methyl (2,4-dichlorophenoxy)acetate |
| 3 | 2,4-D-methyl |
| 4 | methyl 2-(2,4-dichlorophenoxy)acetate |
| 5 | 2,4-D-Methyl ester |
| Molecular Formula | C9H8Cl2O3 |
|---|---|
| Canonical SMILES | COC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| Isomeric SMILES | COC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| Molecular Weight | 235.0600 |
| InChIKey | HWIGZMADSFQMOI-UHFFFAOYSA-N |
| InChI | InChI=1S/C9H8Cl2O3/c1-13-9(12)5-14-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3 |
| XLogP | 3.1000 |
| ExactMass | 233.9850 |
| MonoisotopicMass | 233.9850 |
| TPSA | 35.5000 |
| Complexity | 199.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 4 |
| HeavyAtomCount | 14 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 1178 |
| PatentFamilyCount | 343 |
| LiteratureCount | 61 |
