≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | C1CC2C(=O)OC(N2C1)C(Cl)(Cl)Cl |
|---|---|
| IUPAC Name | (3S,7aR)-3-(trichloromethyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c][1,3]oxazol-1-one |
| InChIKey | GWQBXRYSVSZLSL-XINAWCOVSA-N |
| INCHI | 1S/C7H8Cl3NO2/c8-7(9,10)6-11-3-1-2-4(11)5(12)13-6/h4,6H,1-3H2/t4-,6+/m1/s1 |
| Isomeric SMILES | C1C[C@@H]2C(=O)O[C@H](N2C1)C(Cl)(Cl)Cl |
| PubChem CID | 45158923 |
| Molecular Weight | 244.5 |
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 - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Oxazolidinones N-alkylpyrrolidines Tertiary amines Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Oxazolidinone - N-alkylpyrrolidine - Oxazolidine - Pyrrolidine - Carboxylic acid ester - Lactone - Tertiary amine - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Alkyl chloride - Alkyl halide - Organic nitrogen compound - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 244.500 g/mol |
|---|---|
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 242.962 Da |
| Monoisotopic Mass | 242.962 Da |
| Topological Polar Surface Area | 29.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 240.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
![(3S,7aR)-Tetrahydro-3-(trichloromethyl)-1H,3H-pyrrolo[1,2-c]oxazol-1-one - ≥98% , CAS No.1330286-50-4](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)