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.
| Canonical Smiles | OB1OCC2=C1C=CC(OC1=CC(C#N)=C(C=C1)C#N)=C2 |
|---|---|
| IUPAC Name | 4-[(1-hydroxy-3H-2,1-benzoxaborol-5-yl)oxy]benzene-1,2-dicarbonitrile |
| InChIKey | UBMGTTRDNUKZMT-UHFFFAOYSA-N |
| INCHI | 1S/C15H9BN2O3/c17-7-10-1-2-13(5-11(10)8-18)21-14-3-4-15-12(6-14)9-20-16(15)19/h1-6,19H,9H2 |
| Isomeric SMILES | B1(C2=C(CO1)C=C(C=C2)OC3=CC(=C(C=C3)C#N)C#N)O |
| Alternate CAS | 906673-33-4 |
| PubChem CID | 24806574 |
| Molecular Weight | 276.06 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Ethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diarylethers |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzonitriles Oxaborole derivatives Boronic acid esters Oxacyclic compounds Organic metalloid salts Nitriles Organometalloid compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diaryl ether - Phenoxy compound - Benzonitrile - Phenol ether - Monocyclic benzene moiety - Benzenoid - Boronic acid ester - 1,2-oxaborole derivative - Boronic acid derivative - Oxacycle - Nitrile - Carbonitrile - Organic metalloid salt - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Cyanide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Molecular Weight | 276.060 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 276.071 Da |
| Monoisotopic Mass | 276.071 Da |
| Topological Polar Surface Area | 86.300 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 482.000 |
| 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 |
