| Sonrisas canónicas | CC(=O)C1=NC=C(C=N1)F |
|---|---|
| IUPAC Name | 1-(5-fluoropyrimidin-2-yl)ethanone |
| InChIKey | NNJJXGKCENQOJW-UHFFFAOYSA-N |
| INCHI | 1S/C6H5FN2O/c1-4(10)6-8-2-5(7)3-9-6/h2-3H,1H3 |
| Isómeros SMILES | CC(=O)C1=NC=C(C=N1)F |
| Peso molecular | 140.12 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Clase | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones |
| Direct Parent | Aryl alkyl ketones |
| Alternative Parents | Halopyrimidines Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Halopyrimidine - Pyrimidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. |
| External Descriptors | Not available |
| Sensibilidad | air sensitive |
|---|---|
| Peso molecular | 140.110 g/mol |
| XLogP3 | 0.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 140.039 Da |
| Monoisotopic Mass | 140.039 Da |
| Topological Polar Surface Area | 42.900 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 132.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
