Determine the necessary mass, volume, or concentration for preparing a solution.
≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
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 | CC1=C(C(=NC(=C1Cl)C)Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-[3-(2,5-dichloro-4,6-dimethylpyridin-3-yl)-1,2,4-oxadiazol-5-yl]-3-nitrobenzene-1,2-diol |
| InChIKey | QJOAGGIONCIMFQ-UHFFFAOYSA-N |
| INCHI | 1S/C15H10Cl2N4O5/c1-5-10(13(17)18-6(2)11(5)16)14-19-15(26-20-14)7-3-8(21(24)25)12(23)9(22)4-7/h3-4,22-23H,1-2H3 |
| Isomeric SMILES | CC1=C(C(=NC(=C1Cl)C)Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-] |
| Alternate CAS | 952091-17-7 |
| PubChem CID | 135814515 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Molecular Weight | 397.200 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 396.003 Da |
| Monoisotopic Mass | 396.003 Da |
| Topological Polar Surface Area | 138.000 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 527.000 |
| 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 |