≥98% 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 | C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 17-(4-nitrophenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| InChIKey | MLBNTVOLHQHDMW-UHFFFAOYSA-N |
| INCHI | 1S/C24H16N2O4/c27-23-21-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)22(21)24(28)25(23)13-9-11-14(12-10-13)26(29)30/h1-12,19-22H |
| Molecular Weight | 396.400 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lignans, neolignans and related compounds |
| Class | Aryltetralin lignans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryltetralin lignans |
| Alternative Parents | Anthracenes Phenylpyrrolidines Tetralins Isoindolones Nitrobenzenes Nitroaromatic compounds Pyrrolidine-2-ones N-substituted carboxylic acid imides Dicarboximides Pyrroles Lactams Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-aryltetralin lignan - Anthracene - 1-phenylpyrrolidine - Isoindolone - Tetralin - Isoindoline - Isoindole or derivatives - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrole - Pyrrolidine - Organic nitro compound - C-nitro compound - Lactam - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton. |
| External Descriptors | Not available |
| Molecular Weight | 396.400 g/mol |
|---|---|
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 396.111 Da |
| Monoisotopic Mass | 396.111 Da |
| Topological Polar Surface Area | 83.200 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 685.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
