| Sonrisas canónicas | C1=CC=C(C=C1)OC2=C(C=C(C=C2)Br)N |
|---|---|
| IUPAC Name | 5-bromo-2-phenoxyaniline |
| InChIKey | PBWVVCKGEVIALS-UHFFFAOYSA-N |
| INCHI | 1S/C12H10BrNO/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2 |
| Peso molecular | 264.12 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bromodiphenyl ethers |
| Alternative Parents | Diarylethers Phenoxy compounds Phenol ethers Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Bromodiphenyl ether - Diaryl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group. |
| External Descriptors | Not available |
| Peso molecular | 264.120 g/mol |
|---|---|
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 262.995 Da |
| Monoisotopic Mass | 262.995 Da |
| Topological Polar Surface Area | 35.300 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 194.000 |
| 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 |
