2,4-DB
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CAS Number 94-82-6
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Catalog Number io-2095
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Classification Acids
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Molecular Weight 249.0900
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SMILES C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O
| Size | QTY | Notes | |
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2,4-D Butyric Acid can cause male reproductive toxicity according to The Environmental Protection Agency (EPA).
| 1 | 4-(2,4-Dichlorophenoxy)butanoic acid |
| 2 | 2,4-DB |
| 3 | 2,4-dichlorophenoxybutyric acid |
| 4 | Butoxone |
| 5 | Butyrac |
| Molecular Formula | C10H10Cl2O3 |
|---|---|
| Canonical SMILES | C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O |
| Isomeric SMILES | C1=CC(=C(C=C1Cl)Cl)OCCCC(=O)O |
| Molecular Weight | 249.0900 |
| InChIKey | YIVXMZJTEQBPQO-UHFFFAOYSA-N |
| InChI | InChI=1S/C10H10Cl2O3/c11-7-3-4-9(8(12)6-7)15-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,13,14) |
| XLogP | 3.5000 |
| ExactMass | 248.0007 |
| MonoisotopicMass | 248.0007 |
| TPSA | 46.5000 |
| Complexity | 211.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 1 |
| HBondAcceptorCount | 3 |
| RotatableBondCount | 5 |
| HeavyAtomCount | 15 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 6663 |
| PatentFamilyCount | 2168 |
| LiteratureCount | 440 |
