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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.
| Canonical Smiles | C1=CC=C(C(=C1)C2=CC=C(O2)/C=C/C(=O)C3=CC=CO3)Cl |
|---|---|
| IUPAC Name | (E)-3-[5-(2-chlorophenyl)furan-2-yl]-1-(furan-2-yl)prop-2-en-1-one |
| InChIKey | HSQSDYZIMHIVGW-VQHVLOKHSA-N |
| INCHI | 1S/C17H11ClO3/c18-14-5-2-1-4-13(14)16-10-8-12(21-16)7-9-15(19)17-6-3-11-20-17/h1-11H/b9-7+ |
| Molecular Weight | 298.7 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Aryl ketones |
| Alternative Parents | Chlorobenzenes Aryl chlorides Heteroaromatic compounds Furans Enones Acryloyl compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Aldehydes |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Enone - Furan - Oxacycle - Organoheterocyclic compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group. |
| External Descriptors | Not available |
| Molecular Weight | 298.700 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 298.04 Da |
| Monoisotopic Mass | 298.04 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 395.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |