≥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.
| Sonrisas canónicas | CC(C)[C@H](C1=C(C(=O)C2=C(O1)C=C(C=C2)Cl)CC3=CC=CC=C3)NC(=O)OC(C)(C)C |
|---|---|
| IUPAC Name | tert-butyl N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]carbamate |
| InChIKey | XFDRXBCVLODNAF-OAQYLSRUSA-N |
| INCHI | 1S/C25H28ClNO4/c1-15(2)21(27-24(29)31-25(3,4)5)23-19(13-16-9-7-6-8-10-16)22(28)18-12-11-17(26)14-20(18)30-23/h6-12,14-15,21H,13H2,1-5H3,(H,27,29)/t21-/m1/s1 |
| Peso molecular | 441.9 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Homoisoflavonoids |
| Subclass | Homoisoflavones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Homoisoflavones |
| Alternative Parents | Chromones Pyranones and derivatives Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Carbamate esters Oxacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Homoisoflavone - Chromone - Benzopyran - 1-benzopyran - Pyranone - Benzenoid - Pyran - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Carbamic acid ester - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as homoisoflavones. These are homoisoflavonoids with a structure based on the chromone system. Chromone is a bicyclic compound consisting of a 1-benzopyran, which bears a ketone group at the 4-position. |
| External Descriptors | Not available |
| Peso molecular | 441.900 g/mol |
|---|---|
| XLogP3 | 6.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Exact Mass | 441.171 Da |
| Monoisotopic Mass | 441.171 Da |
| Topological Polar Surface Area | 64.599 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 690.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
