≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)N3C |
|---|---|
| InChIKey | WKNNSOFMCNKQNB-UHFFFAOYSA-N |
| INCHI | 1S/C14H19BN2O3/c1-13(2)14(3,4)20-15(19-13)9-6-7-10-11(8-9)17(5)12(18)16-10/h6-8H,1-5H3,(H,16,18) |
| Isómeros SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)N3C |
| PubChem CID | 57950577 |
| Peso molecular | 274.13 |
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 | Organoheterocyclic compounds |
| Clase | Benzimidazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzimidazoles |
| Alternative Parents | N-substituted imidazoles Benzenoids Heteroaromatic compounds Dioxaborolanes Boronic acid esters Ureas Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzimidazole - N-substituted imidazole - Benzenoid - Azole - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Imidazole - Boronic acid derivative - Urea - Oxacycle - Azacycle - Organic metalloid salt - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic metalloid moeity - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds). |
| External Descriptors | Not available |
| Peso molecular | 274.130 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 274.149 Da |
| Monoisotopic Mass | 274.149 Da |
| Topological Polar Surface Area | 50.800 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 411.000 |
| 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 |
