2,4-D Esters
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CAS Number 2971-38-2
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Catalog Number io-2087
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Classification Aryl Halides
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Molecular Weight 309.6000
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SMILES C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | 2,4-D chlorocrotyl ester |
| 2 | 4-chlorobut-2-enyl 2-(2,4-dichlorophenoxy)acetate |
| 3 | DTXSID6041345 |
| 4 | NS00123714 |
| Molecular Formula | C12H11Cl3O3 |
|---|---|
| Canonical SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl |
| Isomeric SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)OCC=CCCl |
| Molecular Weight | 309.6000 |
| InChIKey | NEVMZYLKPFGDJB-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H11Cl3O3/c13-5-1-2-6-17-12(16)8-18-11-4-3-9(14)7-10(11)15/h1-4,7H,5-6,8H2 |
| XLogP | 4.0000 |
| ExactMass | 307.9774 |
| MonoisotopicMass | 307.9774 |
| TPSA | 35.5000 |
| Complexity | 284.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 7 |
| HeavyAtomCount | 18 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 1 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 1 |
| CovalentUnitCount | 1 |
| PatentCount | 1 |
| PatentFamilyCount | 1 |
| LiteratureCount | 73 |
