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≥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 | CC(C)CC1CNC2=C(O1)C=C(C=C2)C(F)(F)F |
|---|---|
| IUPAC Name | 2-(2-methylpropyl)-7-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine |
| InChIKey | QPFJVMVWMLPTGI-UHFFFAOYSA-N |
| INCHI | 1S/C13H16F3NO/c1-8(2)5-10-7-17-11-4-3-9(13(14,15)16)6-12(11)18-10/h3-4,6,8,10,17H,5,7H2,1-2H3 |
| Isomeric SMILES | CC(C)CC1CNC2=C(O1)C=C(C=C2)C(F)(F)F |
| PubChem CID | 118325081 |
| Molecular Weight | 259.27 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →| Molecular Weight | 259.269 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 259.118 Da |
| Monoisotopic Mass | 259.118 Da |
| Topological Polar Surface Area | 21.300 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 280.000 |
| 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 |