| Sonrisas canónicas | CC1=NN=C(O1)C2=CC=C(C=C2)Br |
|---|---|
| IUPAC Name | 2-(4-bromophenyl)-5-methyl-1,3,4-oxadiazole |
| InChIKey | PQSCYRJMPVYVKU-UHFFFAOYSA-N |
| INCHI | 1S/C9H7BrN2O/c1-6-11-12-9(13-6)7-2-4-8(10)5-3-7/h2-5H,1H3 |
| Isómeros SMILES | CC1=NN=C(O1)C2=CC=C(C=C2)Br |
| PubChem CID | 540693 |
| Peso molecular | 239.07 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bromobenzenes |
| Alternative Parents | Aryl bromides Heteroaromatic compounds 1,3,4-oxadiazoles Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Bromobenzene - Aryl bromide - Aryl halide - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 239.070 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 237.974 Da |
| Monoisotopic Mass | 237.974 Da |
| Topological Polar Surface Area | 38.900 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 171.000 |
| 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 |
