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.
| Sonrisas canónicas | CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)CCCCl |
|---|---|
| IUPAC Name | [5-[5-chloro-1-(2-fluorophenyl)-2-oxopentyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] acetate |
| InChIKey | QQRQUTSPQINSKG-UHFFFAOYSA-N |
| INCHI | 1S/C20H21ClFNO3S/c1-13(24)26-19-11-14-12-23(10-8-18(14)27-19)20(17(25)7-4-9-21)15-5-2-3-6-16(15)22/h2-3,5-6,11,20H,4,7-10,12H2,1H3 |
| Isómeros SMILES | CC(=O)OC1=CC2=C(S1)CCN(C2)C(C3=CC=CC=C3F)C(=O)CCCCl |
| CAS alternativo | 1056459-37-0 |
| PubChem CID | 56962654 |
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 →| Peso molecular | 409.900 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 409.091 Da |
| Monoisotopic Mass | 409.091 Da |
| Topological Polar Surface Area | 74.900 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 537.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |