| Canonical Smiles | CC(C)CN1C(=CC=N1)Br |
|---|---|
| IUPAC Name | 5-bromo-1-(2-methylpropyl)pyrazole |
| InChIKey | YUWRPYZOXLGDTB-UHFFFAOYSA-N |
| INCHI | 1S/C7H11BrN2/c1-6(2)5-10-7(8)3-4-9-10/h3-4,6H,5H2,1-2H3 |
| Molecular Weight | 203.08 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organohalogen compounds |
| Class | Aryl halides |
| Subclass | Aryl bromides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl bromides |
| Alternative Parents | Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 203.080 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 202.011 Da |
| Monoisotopic Mass | 202.011 Da |
| Topological Polar Surface Area | 17.800 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 106.000 |
| 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 |
