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| Sonrisas canónicas | C1(=NNN=N1)Br |
|---|---|
| IUPAC Name | 5-bromo-2H-tetrazole |
| InChIKey | HFULRRXNTBESRB-UHFFFAOYSA-N |
| INCHI | 1S/CHBrN4/c2-1-3-5-6-4-1/h(H,3,4,5,6) |
| Isómeros SMILES | C1(=NNN=N1)Br |
| CAS alternativo | 42371-37-9 |
| PubChem CID | 323177 |
| Número NSC | 282029 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Clase | Aryl halides |
| Subclass | Aryl bromides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl bromides |
| Alternative Parents | Tetrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl bromide - Heteroaromatic compound - Tetrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional group. |
| External Descriptors | Not available |
| Peso molecular | 148.950 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 147.938 Da |
| Monoisotopic Mass | 147.938 Da |
| Topological Polar Surface Area | 54.500 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 46.800 |
| 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 |