≥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.
| Canonical Smiles | C1=C(OC(=C1)C(=O)O)CN2C=C(C=N2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 5-[(4-nitropyrazol-1-yl)methyl]furan-2-carboxylic acid |
| InChIKey | IBTMBLNQUGWDNZ-UHFFFAOYSA-N |
| INCHI | 1S/C9H7N3O5/c13-9(14)8-2-1-7(17-8)5-11-4-6(3-10-11)12(15)16/h1-4H,5H2,(H,13,14) |
| Isomeric SMILES | C1=C(OC(=C1)C(=O)O)CN2C=C(C=N2)[N+](=O)[O-] |
| PubChem CID | 3151588 |
| Molecular Weight | 237.17 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Furans |
| Subclass | Furoic acid and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Furoic acids |
| Alternative Parents | Nitroaromatic compounds Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Nitroaromatic compound - Furoic acid - Azole - Pyrazole - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom. |
| External Descriptors | Not available |
| Molecular Weight | 237.170 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 237.039 Da |
| Monoisotopic Mass | 237.039 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 318.000 |
| 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 |
![5-[(4-Nitro-1H-pyrazol-1-yl)methyl]-2-furancarboxylic acid - ≥97% , CAS No.436086-87-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)