≥98% 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(C1COC(=O)N1C2=NC(=NC=C2)F)F |
|---|---|
| IUPAC Name | (4R)-4-[(1S)-1-fluoroethyl]-3-(2-fluoropyrimidin-4-yl)-1,3-oxazolidin-2-one |
| InChIKey | KBEDGSHRLWBUDV-NTSWFWBYSA-N |
| INCHI | 1S/C9H9F2N3O2/c1-5(10)6-4-16-9(15)14(6)7-2-3-12-8(11)13-7/h2-3,5-6H,4H2,1H3/t5-,6+/m0/s1 |
| Isomeric SMILES | C[C@@H]([C@H]1COC(=O)N1C2=NC(=NC=C2)F)F |
| PubChem CID | 90415299 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Halopyrimidines |
| Direct Parent | 2-halopyrimidines |
| Alternative Parents | Oxazolidinones Imidolactams Aryl fluorides Heteroaromatic compounds Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-halopyrimidine - Aryl fluoride - Aryl halide - Oxazolidinone - Imidolactam - Oxazolidine - Carbamic acid ester - Heteroaromatic compound - Azacycle - Oxacycle - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom. |
| External Descriptors | Not available |
| Molecular Weight | 229.180 g/mol |
|---|---|
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 229.066 Da |
| Monoisotopic Mass | 229.066 Da |
| Topological Polar Surface Area | 55.300 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 279.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
