2,4-D Esters
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CAS Number 94-79-1
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Catalog Number io-2081
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Classification Aryl Halides
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Molecular Weight 277.1400
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SMILES CCC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl
| Size | QTY | Notes | |
|---|---|---|---|
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No description available for this item
| 1 | butan-2-yl 2-(2,4-dichlorophenoxy)acetate |
| 2 | 2,4-D sec-butyl ester |
| 3 | Acetic acid, (2,4-dichlorophenoxy)-, 1-methylpropyl ester |
| 4 | Acetic acid, (2,4-dichlorophenoxy)-, sec-butyl ester |
| 5 | DTXSID60916714 |
| Molecular Formula | C12H14Cl2O3 |
|---|---|
| Canonical SMILES | CCC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| Isomeric SMILES | CCC(C)OC(=O)COC1=C(C=C(C=C1)Cl)Cl |
| Molecular Weight | 277.1400 |
| InChIKey | PVVPYVMHXYPBQZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H14Cl2O3/c1-3-8(2)17-12(15)7-16-11-5-4-9(13)6-10(11)14/h4-6,8H,3,7H2,1-2H3 |
| XLogP | 4.5000 |
| ExactMass | 276.0320 |
| MonoisotopicMass | 276.0320 |
| TPSA | 35.5000 |
| Complexity | 248.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 17 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 1 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 1 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 0 |
| PatentFamilyCount | 0 |
| LiteratureCount | 1 |
