| Sonrisas canónicas | C1=CC2=C(C=COC2=O)C(=C1)Br |
|---|---|
| IUPAC Name | 5-bromoisochromen-1-one |
| InChIKey | WHYKRNIHXWPVRG-UHFFFAOYSA-N |
| INCHI | 1S/C9H5BrO2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H |
| Peso molecular | 225.04 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Clase | Isocoumarins and derivatives |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isocoumarins and derivatives |
| Alternative Parents | 2-benzopyrans Pyranones and derivatives Benzenoids Aryl bromides Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Isocoumarin - Benzopyran - 2-benzopyran - Pyranone - Benzenoid - Pyran - Aryl halide - Aryl bromide - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1. |
| External Descriptors | Not available |
| Peso molecular | 225.040 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 223.947 Da |
| Monoisotopic Mass | 223.947 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| 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 |
