| Sonrisas canónicas | C1=CC(=C(C=C1Br)C#N)OC(F)F |
|---|---|
| IUPAC Name | 5-bromo-2-(difluoromethoxy)benzonitrile |
| InChIKey | NRSLKAXETGPAST-UHFFFAOYSA-N |
| INCHI | 1S/C8H4BrF2NO/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-3,8H |
| Peso molecular | 248.02 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Benzonitriles Bromobenzenes Aryl bromides Nitriles Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzonitrile - Phenoxy compound - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Nitrile - Carbonitrile - Organofluoride - Organobromide - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 248.020 g/mol |
|---|---|
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 246.944 Da |
| Monoisotopic Mass | 246.944 Da |
| Topological Polar Surface Area | 33.000 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 215.000 |
| 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 |
