Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ 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.
An inhibitor of STAT activation and signaling activity
| Pubchem Sid | 504763644 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763644 |
| Canonical Smiles | C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])O |
| IUPAC Name | 4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzamide |
| InChIKey | YCWSUKQGVSGXJO-NTUHNPAUSA-N |
| INCHI | 1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+ |
| Isomeric SMILES | C1=CC(=CC=C1C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-])O |
| WGK Germany | 3 |
| Molecular Weight | 275.22 |
| Reaxy-Rn | 1352180 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1352180&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acids and derivatives |
| Alternative Parents | Nitrofurans Nitroaromatic compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - 2-nitrofuran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Furan - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic zwitterion - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Feb 07, 2025 | N129550 | |
| Certificate of Analysis | Feb 07, 2025 | N129550 | |
| Certificate of Analysis | Feb 07, 2025 | N129550 | |
| Certificate of Analysis | Feb 07, 2025 | N129550 | |
| Certificate of Analysis | Feb 07, 2025 | N129550 | |
| Certificate of Analysis | Feb 07, 2025 | N129550 | |
| Certificate of Analysis | Feb 07, 2025 | N129550 | |
| Certificate of Analysis | Feb 07, 2025 | N129550 | |
| Certificate of Analysis | Feb 06, 2023 | N129550 |
| Solubility | Soluble in water (practically insoluble), chloroform (practically insoluble), ethyl ether (0.01g/>100ml) (practically insoluble), Methanol (0.01g/100ml) (very slightly soluble), 1 N Sodium hydroxide (1.0g/30ml), and DMSO. |
|---|---|
| Sensitivity | Light Sensitive,Air Sensitive,Heat Sensitive |
| Melt Point(°C) | 281-283°C |
| Molecular Weight | 275.220 g/mol |
| XLogP3 | 2.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 275.054 Da |
| Monoisotopic Mass | 275.054 Da |
| Topological Polar Surface Area | 121.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 387.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| 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 →