≥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.
| Canonical Smiles | C1CCN(C1)CC2=CC=CC=C2C(=O)C3=CC(=C(C=C3)F)Cl |
|---|---|
| IUPAC Name | (3-chloro-4-fluorophenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone |
| InChIKey | PIABEICXOSYLEE-UHFFFAOYSA-N |
| INCHI | 1S/C18H17ClFNO/c19-16-11-13(7-8-17(16)20)18(22)15-6-2-1-5-14(15)12-21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2 |
| Isomeric SMILES | C1CCN(C1)CC2=CC=CC=C2C(=O)C3=CC(=C(C=C3)F)Cl |
| PubChem CID | 24725262 |
| Molecular Weight | 317.79 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzophenones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzophenones |
| Alternative Parents | Aryl-phenylketones Diphenylmethanes Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides N-alkylpyrrolidines Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzophenone - Diphenylmethane - Aryl-phenylketone - Phenylmethylamine - Aryl ketone - Benzoyl - Benzylamine - Halobenzene - Fluorobenzene - Chlorobenzene - Aralkylamine - Aryl fluoride - N-alkylpyrrolidine - Aryl halide - Aryl chloride - Pyrrolidine - Tertiary amine - Ketone - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | 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 |
| Molecular Weight | 317.800 g/mol |
|---|---|
| XLogP3 | 4.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 317.098 Da |
| Monoisotopic Mass | 317.098 Da |
| Topological Polar Surface Area | 20.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 385.000 |
| 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 |
