| Sonrisas canónicas | C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)Cl |
|---|---|
| IUPAC Name | 2-bromo-1-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]ethanone |
| InChIKey | OUHGJKFYGYXITB-UHFFFAOYSA-N |
| INCHI | 1S/C11H7BrClNO2/c12-6-10(15)11-5-9(14-16-11)7-1-3-8(13)4-2-7/h1-5H,6H2 |
| Isómeros SMILES | C1=CC(=CC=C1C2=NOC(=C2)C(=O)CBr)Cl |
| PubChem CID | 2799661 |
| Peso molecular | 300.54 |
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 | Chlorobenzenes Aryl chlorides Isoxazoles Heteroaromatic compounds Alpha-haloketones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Azole - Heteroaromatic compound - Isoxazole - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Alkyl halide - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organobromide - Organochloride - Organonitrogen 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 |
| Peso molecular | 300.530 g/mol |
|---|---|
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 298.935 Da |
| Monoisotopic Mass | 298.935 Da |
| Topological Polar Surface Area | 43.100 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 256.000 |
| 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 |
