≥98% 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(NC(=C(C(=O)N1)[N+](=O)[O-])O)C(F)(F)F |
|---|---|
| IUPAC Name | 6-hydroxy-5-nitro-2-(trifluoromethyl)-2,3-dihydro-1H-pyrimidin-4-one |
| InChIKey | LBNSBQRDVGWVAO-UHFFFAOYSA-N |
| INCHI | 1S/C5H4F3N3O4/c6-5(7,8)4-9-2(12)1(11(14)15)3(13)10-4/h4,9,12H,(H,10,13) |
| Isomeric SMILES | C1(NC(=C(C(=O)N1)[N+](=O)[O-])O)C(F)(F)F |
| PubChem CID | 70700414 |
| Molecular Weight | 227.1 |
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 | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives |
| Direct Parent | Alpha amino acids and derivatives |
| Alternative Parents | Nitropyrimidines Hydropyrimidines Vinylogous amides Vinylogous acids Secondary carboxylic acid amides C-nitro compounds Lactams Propargyl-type 1,3-dipolar organic compounds Alkanolamines Azacyclic compounds Organic oxoazanium compounds Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Alkyl fluorides Organic cations |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Nitropyrimidine - Hydropyrimidine - 1,2,3,4-tetrahydropyrimidine - Pyrimidine - Vinylogous acid - Vinylogous amide - Organic nitro compound - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Alkanolamine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Alkyl halide - Organohalogen compound - Hydrocarbon derivative - Alkyl fluoride - Organic salt - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic cation - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. |
| External Descriptors | Not available |
| Molecular Weight | 227.100 g/mol |
|---|---|
| XLogP3 | 1.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 0 |
| Exact Mass | 227.015 Da |
| Monoisotopic Mass | 227.015 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 344.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
