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 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 | C1=COC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O |
|---|---|
| IUPAC Name | 11-(furan-2-yl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one |
| InChIKey | QTGHVIRGSWOTTH-UHFFFAOYSA-N |
| INCHI | 1S/C15H7F3N2O3S/c16-15(17,18)6-4-7(9-2-1-3-23-9)19-14-11(6)12-13(24-14)8(21)5-10(22)20-12/h1-5H,(H2,20,21,22) |
| Isomeric SMILES | C1=COC(=C1)C2=NC3=C(C(=C2)C(F)(F)F)C4=C(S3)C(=CC(=O)N4)O |
| PubChem CID | 54697678 |
| Molecular Weight | 352.29 |
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 | 352.300 g/mol |
|---|---|
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 352.013 Da |
| Monoisotopic Mass | 352.013 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 571.000 |
| 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 |