| Sonrisas canónicas | C1CNCC2=C(C=CC(=C21)Br)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-bromo-8-nitro-1,2,3,4-tetrahydroisoquinoline |
| InChIKey | WCDWDZBUTSPUKU-UHFFFAOYSA-N |
| INCHI | 1S/C9H9BrN2O2/c10-8-1-2-9(12(13)14)7-5-11-4-3-6(7)8/h1-2,11H,3-5H2 |
| Peso molecular | 257.079 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Tetrahydroisoquinolines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tetrahydroisoquinolines |
| Alternative Parents | Nitroaromatic compounds Aralkylamines Benzenoids Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Azacyclic compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Tetrahydroisoquinoline - Nitroaromatic compound - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - C-nitro compound - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Organic oxoazanium - Secondary amine - Organic salt - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tetrahydroisoquinolines. These are tetrahydrogenated isoquinoline derivatives. |
| External Descriptors | Not available |
| Peso molecular | 257.079 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 255.985 Da |
| Monoisotopic Mass | 255.985 Da |
| Topological Polar Surface Area | 57.900 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 231.000 |
| 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 |
