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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=C2C(=C1)C3=NN=C(C=C3C2=O)C4=CC=C(C=C4)Br |
|---|---|
| IUPAC Name | 3-(4-bromophenyl)indeno[1,2-c]pyridazin-5-one |
| InChIKey | QHYRELLXJDJBHO-UHFFFAOYSA-N |
| INCHI | 1S/C17H9BrN2O/c18-11-7-5-10(6-8-11)15-9-14-16(20-19-15)12-3-1-2-4-13(12)17(14)21/h1-9H |
| Isómeros SMILES | C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)C4=CC=C(C=C4)Br |
| PubChem CID | 2767328 |
| Peso molecular | 337.18 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Diazines |
| Subclass | Pyridazines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridazines |
| Alternative Parents | Aryl ketones Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyridazine - Aryl ketone - Bromobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Benzenoid - Heteroaromatic compound - Ketone - Azacycle - Organopnictogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group. |
| External Descriptors | Not available |
| Peso molecular | 337.200 g/mol |
|---|---|
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 335.99 Da |
| Monoisotopic Mass | 335.99 Da |
| Topological Polar Surface Area | 42.900 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| 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 |