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≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=CC(=C(C(=C1)Cl)OCC2=CC(=NO2)C(=O)O)Cl |
|---|---|
| IUPAC Name | 5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid |
| InChIKey | WUKXRQYIGCFXEK-UHFFFAOYSA-N |
| INCHI | 1S/C11H7Cl2NO4/c12-7-2-1-3-8(13)10(7)17-5-6-4-9(11(15)16)14-18-6/h1-4H,5H2,(H,15,16) |
| Isomeric SMILES | C1=CC(=C(C(=C1)Cl)OCC2=CC(=NO2)C(=O)O)Cl |
| PubChem CID | 61397461 |
| Molecular Weight | 288.08 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 288.080 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 286.975 Da |
| Monoisotopic Mass | 286.975 Da |
| Topological Polar Surface Area | 72.600 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 295.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |