≥95% 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 | C1C=CCN1CC2=CC(=CC=C2)C(=O)C3=CC=CC(=C3)C#N |
|---|---|
| IUPAC Name | 3-[3-(2,5-dihydropyrrol-1-ylmethyl)benzoyl]benzonitrile |
| InChIKey | FYBISGYUDOBXAJ-UHFFFAOYSA-N |
| INCHI | 1S/C19H16N2O/c20-13-15-5-3-7-17(11-15)19(22)18-8-4-6-16(12-18)14-21-9-1-2-10-21/h1-8,11-12H,9-10,14H2 |
| Isómeros SMILES | C1C=CCN1CC2=CC(=CC=C2)C(=O)C3=CC=CC(=C3)C#N |
| PubChem CID | 24725075 |
| Peso molecular | 288.35 |
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 | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Diphenylmethanes Aryl-phenylketones Phenylmethylamines Benzylamines Benzoyl derivatives Benzonitriles Aralkylamines Pyrrolines Trialkylamines Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzophenone - Diphenylmethane - Aryl-phenylketone - Benzonitrile - Benzoyl - Benzylamine - Phenylmethylamine - Aryl ketone - Aralkylamine - Pyrroline - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Peso molecular | 288.300 g/mol |
|---|---|
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 288.126 Da |
| Monoisotopic Mass | 288.126 Da |
| Topological Polar Surface Area | 44.100 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 467.000 |
| 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 |
