≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC(=C(C=C1N2C(=NOC2=O)C3=NON=C3NCCN)Br)F.Cl |
|---|---|
| IUPAC Name | 3-[4-(2-aminoethylamino)-1,2,5-oxadiazol-3-yl]-4-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-one;hydrochloride |
| InChIKey | HWYPORXMNMOVEE-UHFFFAOYSA-N |
| INCHI | 1S/C12H10BrFN6O3.ClH/c13-7-5-6(1-2-8(7)14)20-11(19-22-12(20)21)9-10(16-4-3-15)18-23-17-9;/h1-2,5H,3-4,15H2,(H,16,18);1H |
| Isómeros SMILES | C1=CC(=C(C=C1N2C(=NOC2=O)C3=NON=C3NCCN)Br)F.Cl |
| PubChem CID | 66606461 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Secondary alkylarylamines Bromobenzenes Aryl bromides Aryl fluorides Imidolactams 1,2,4-oxadiazoles Furazans Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides Organobromides Organofluorides Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Secondary aliphatic/aromatic amine - Bromobenzene - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Imidolactam - 1,2,4-oxadiazole - Heteroaromatic compound - Azole - Oxadiazole - Furazan - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Peso molecular | 421.610 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 419.975 Da |
| Monoisotopic Mass | 419.975 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 484.000 |
| 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 | 2 |
