| Sonrisas canónicas | C1=C(C=C(C(=C1N)F)[N+](=O)[O-])Br |
|---|---|
| IUPAC Name | 5-bromo-2-fluoro-3-nitroaniline |
| InChIKey | KHADFTHWUPIKQM-UHFFFAOYSA-N |
| INCHI | 1S/C6H4BrFN2O2/c7-3-1-4(9)6(8)5(2-3)10(11)12/h1-2H,9H2 |
| Isómeros SMILES | C1=C(C=C(C(=C1N)F)[N+](=O)[O-])Br |
| PubChem CID | 71299626 |
| Peso molecular | 235.01 |
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 | Nitrobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrobenzenes |
| Alternative Parents | Nitroaromatic compounds Aniline and substituted anilines Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organofluorides Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Aryl bromide - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic oxide - Organobromide - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Primary amine - Amine - Organic zwitterion - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. |
| External Descriptors | Not available |
| Peso molecular | 235.010 g/mol |
|---|---|
| XLogP3 | 1.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 233.944 Da |
| Monoisotopic Mass | 233.944 Da |
| Topological Polar Surface Area | 71.800 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 187.000 |
| 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 |
