| Sonrisas canónicas | CCC1=CC(=NO1)C(=O)Cl |
|---|---|
| IUPAC Name | 5-ethyl-1,2-oxazole-3-carbonyl chloride |
| InChIKey | WDGWKCWPCNKPKD-UHFFFAOYSA-N |
| INCHI | 1S/C6H6ClNO2/c1-2-4-3-5(6(7)9)8-10-4/h3H,2H2,1H3 |
| Isómeros SMILES | CCC1=CC(=NO1)C(=O)Cl |
| PubChem CID | 20072741 |
| Peso molecular | 159.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Azoles |
| Subclass | Isoxazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoxazoles |
| Alternative Parents | Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acyl chlorides Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Acyl halide - Acyl chloride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isoxazoles. These are heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively. |
| External Descriptors | Not available |
| Peso molecular | 159.570 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 159.009 Da |
| Monoisotopic Mass | 159.009 Da |
| Topological Polar Surface Area | 43.100 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 140.000 |
| 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 |
