Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| ALogP | 5.9 |
|---|
| Canonical Smiles | CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)OC)Br |
|---|---|
| IUPAC Name | (3,5-dibromo-4-methoxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone |
| InChIKey | BFNPMHRTUYWBIA-UHFFFAOYSA-N |
| INCHI | 1S/C18H14Br2O3/c1-3-14-16(11-6-4-5-7-15(11)23-14)17(21)10-8-12(19)18(22-2)13(20)9-10/h4-9H,3H2,1-2H3 |
| Isomeric SMILES | CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)Br)OC)Br |
| PubChem CID | 44421473 |
| Molecular Weight | 438.1 |
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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Aryl ketones - Phenylketones |
| Direct Parent | Aryl-phenylketones |
| Alternative Parents | Benzofurans Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles 3-aroylfurans Bromobenzenes Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aryl-phenylketone - Benzofuran - Anisole - Phenoxy compound - Benzoyl - Phenol ether - 3-aroylfuran - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Furan - Ether - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Molecular Weight | 438.100 g/mol |
|---|---|
| XLogP3 | 5.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 437.929 Da |
| Monoisotopic Mass | 435.931 Da |
| Topological Polar Surface Area | 39.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 418.000 |
| 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 |