Determine the necessary mass, volume, or concentration for preparing a solution.
Moligand™ Moligand™ 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.
| Sonrisas canónicas | C1CC2=C(C=CC(=C2)OC3=NC=C(C=C3)[N+](=O)[O-])OC1C4=CC=CC=C4 |
|---|---|
| IUPAC Name | 5-nitro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridine |
| InChIKey | GZONLGPIHCCJOI-UHFFFAOYSA-N |
| INCHI | 1S/C20H16N2O4/c23-22(24)16-7-11-20(21-13-16)25-17-8-10-19-15(12-17)6-9-18(26-19)14-4-2-1-3-5-14/h1-5,7-8,10-13,18H,6,9H2 |
| Isómeros SMILES | C1CC2=C(C=CC(=C2)OC3=NC=C(C=C3)[N+](=O)[O-])OC1C4=CC=CC=C4 |
| WGK Alemania | 3 |
| PubChem CID | 17978512 |
| Peso molecular | 348.35 |
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 | Phenylpropanoids and polyketides |
| Clase | Flavonoids |
| Subclass | Flavans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Flavans |
| Alternative Parents | Diarylethers 1-benzopyrans Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Flavan - Diaryl ether - Chromane - Benzopyran - 1-benzopyran - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Oxacycle - Ether - Azacycle - Organic oxoazanium - Organic salt - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as flavans. These are compounds containing a flavan moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran skeleton. |
| External Descriptors | Not available |
| Peso molecular | 348.400 g/mol |
|---|---|
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 348.111 Da |
| Monoisotopic Mass | 348.111 Da |
| Topological Polar Surface Area | 77.200 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 477.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →