≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | C1C2CN(CC1C3=C2C=CC(=C3)[N+](=O)[O-])C(=O)C(F)(F)F |
|---|---|
| IUPAC Name | 2,2,2-trifluoro-1-(4-nitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)ethanone |
| InChIKey | QIRWLPNFDZWWIS-UHFFFAOYSA-N |
| INCHI | 1S/C13H11F3N2O3/c14-13(15,16)12(19)17-5-7-3-8(6-17)11-4-9(18(20)21)1-2-10(7)11/h1-2,4,7-8H,3,5-6H2 |
| Isómeros SMILES | C1C2CN(CC1C3=C2C=CC(=C3)[N+](=O)[O-])C(=O)C(F)(F)F |
| CAS alternativo | 230615-53-9 |
| PubChem CID | 21864705 |
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 | Benzazepines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzazepines |
| Alternative Parents | Indanes N-acylpiperidines Nitroaromatic compounds Azepines Tertiary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Alkyl fluorides Organic oxides Organic salts Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Organic cations |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzazepine - Indane - N-acyl-piperidine - Nitroaromatic compound - Azepine - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organofluoride - Organohalogen compound - Organic salt - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom). |
| External Descriptors | Not available |
| Peso molecular | 300.230 g/mol |
|---|---|
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 0 |
| Exact Mass | 300.072 Da |
| Monoisotopic Mass | 300.072 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 463.000 |
| 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 |
