Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.
Store at -20°C (desiccating conditions).
| 정식 스마일 | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)C(F)(F)F)Cl |
|---|---|
| IUPAC Name | 3-chloro-6-nitro-2-(trifluoromethyl)chromen-4-one |
| InChIKey | DYEGRZKBJMKSKD-UHFFFAOYSA-N |
| INCHI | 1S/C10H3ClF3NO4/c11-7-8(16)5-3-4(15(17)18)1-2-6(5)19-9(7)10(12,13)14/h1-3H |
| 이성체 SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)C(F)(F)F)Cl |
| 분자량 | 293.58 |
| Reaxy-Rn | 8847412 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8847412&ln= |
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 |
| 분류 | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Chromones |
| Alternative Parents | Nitroaromatic compounds Pyranones and derivatives Aryl chlorides Benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organochlorides Organic oxides Organofluorides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Chromone - Nitroaromatic compound - Pyranone - Aryl chloride - Aryl halide - Pyran - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Oxacycle - Organic oxoazanium - Alkyl fluoride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteropolycyclic compound |
| 설명 | This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety. |
| External Descriptors | Not available |
| 용해성 | Soluble in DMSO to 100 mM |
|---|---|
| 분자량 | 293.580 g/mol |
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 0 |
| Exact Mass | 292.97 Da |
| Monoisotopic Mass | 292.97 Da |
| Topological Polar Surface Area | 72.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 457.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
