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≥97% 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 | C1CS(=O)(=O)CCN1CC2=CC(=C(C=C2)Br)F |
|---|---|
| IUPAC Name | 4-[(4-bromo-3-fluorophenyl)methyl]-1,4-thiazinane 1,1-dioxide |
| InChIKey | BIIMHCMVLWTMGK-UHFFFAOYSA-N |
| INCHI | 1S/C11H13BrFNO2S/c12-10-2-1-9(7-11(10)13)8-14-3-5-17(15,16)6-4-14/h1-2,7H,3-6,8H2 |
| Isomeric SMILES | C1CS(=O)(=O)CCN1CC2=CC(=C(C=C2)Br)F |
| Molecular Weight | 322.19 |
| Reaxy-Rn | 27777214 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27777214&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 322.200 g/mol |
|---|---|
| XLogP3 | 1.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 320.983 Da |
| Monoisotopic Mass | 320.983 Da |
| Topological Polar Surface Area | 45.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 343.000 |
| 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 |