| Sonrisas canónicas | CC1=C(C=C(C=C1Br)Br)N |
|---|---|
| IUPAC Name | 3,5-dibromo-2-methylaniline |
| InChIKey | RPIGYXISJGXJIK-UHFFFAOYSA-N |
| INCHI | 1S/C7H7Br2N/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,10H2,1H3 |
| Isómeros SMILES | CC1=C(C=C(C=C1Br)Br)N |
| PubChem CID | 23462589 |
| Peso molecular | 264.94 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminotoluenes |
| Alternative Parents | Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Aminotoluene - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group. |
| External Descriptors | Not available |
| Peso molecular | 264.940 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 264.892 Da |
| Monoisotopic Mass | 262.895 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 118.000 |
| 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 |
