≥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)(C)OC(=O)N1C(COC=C1C2=CC(=C(C(=C2)F)F)F)CCCCOCC3=CC=CC=C3 |
|---|---|
| IUPAC Name | tert-butyl 3-(4-phenylmethoxybutyl)-5-(3,4,5-trifluorophenyl)-2,3-dihydro-1,4-oxazine-4-carboxylate |
| InChIKey | CKPSMPHQSAHNFV-UHFFFAOYSA-N |
| INCHI | 1S/C26H30F3NO4/c1-26(2,3)34-25(31)30-20(11-7-8-12-32-15-18-9-5-4-6-10-18)16-33-17-23(30)19-13-21(27)24(29)22(28)14-19/h4-6,9-10,13-14,17,20H,7-8,11-12,15-16H2,1-3H3 |
| Isomeric SMILES | CC(C)(C)OC(=O)N1C(COC=C1C2=CC(=C(C(=C2)F)F)F)CCCCOCC3=CC=CC=C3 |
| PubChem CID | 70700632 |
| Molecular Weight | 477.53 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzylethers |
| Alternative Parents | Fluorobenzenes Aryl fluorides Carbamate esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzylether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carbamic acid ester - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene). |
| External Descriptors | Not available |
| Molecular Weight | 477.500 g/mol |
|---|---|
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 10 |
| Exact Mass | 477.213 Da |
| Monoisotopic Mass | 477.213 Da |
| Topological Polar Surface Area | 48.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 665.000 |
| 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 |
