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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 | C1C(NC(=O)O1)C(F)F |
|---|---|
| IUPAC Name | 4-(difluoromethyl)-1,3-oxazolidin-2-one |
| InChIKey | KPGYPWXVADQHRR-UHFFFAOYSA-N |
| INCHI | 1S/C4H5F2NO2/c5-3(6)2-1-9-4(8)7-2/h2-3H,1H2,(H,7,8) |
| Isómeros SMILES | C1C(NC(=O)O1)C(F)F |
| PubChem CID | 67256998 |
| Peso molecular | 137.09 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azolidines |
| Subclass | Oxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxazolidinones |
| Alternative Parents | Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Oxazolidinone - Carbamic acid ester - Azacycle - Oxacycle - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as oxazolidinones. These are compounds containing an oxazolidinone moiety, which is an oxazolidine bearing a ketone group. |
| External Descriptors | Not available |
| Peso molecular | 137.080 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 137.029 Da |
| Monoisotopic Mass | 137.029 Da |
| Topological Polar Surface Area | 38.300 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 128.000 |
| 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 |