Determine the necessary mass, volume, or concentration for preparing a solution.
≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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(=NO1)C2=CC=C(C=C2)O)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl |
|---|---|
| IUPAC Name | [4-(2-chloro-4-nitrophenyl)piperazin-1-yl]-[3-(4-hydroxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanone |
| InChIKey | FNZOHHJCUYQDHV-UHFFFAOYSA-N |
| INCHI | 1S/C21H19ClN4O5/c1-13-19(20(23-31-13)14-2-5-16(27)6-3-14)21(28)25-10-8-24(9-11-25)18-7-4-15(26(29)30)12-17(18)22/h2-7,12,27H,8-11H2,1H3 |
| PubChem CID | 136110291 |
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 | 442.900 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 442.104 Da |
| Monoisotopic Mass | 442.104 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 648.000 |
| 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 |