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≥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 | C1CN(CC1(C(=O)O)F)C(=O)OCC2=CC=CC=C2 |
|---|---|
| IUPAC Name | 3-fluoro-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid |
| InChIKey | ASWSLWVUHJVOIR-UHFFFAOYSA-N |
| INCHI | 1S/C13H14FNO4/c14-13(11(16)17)6-7-15(9-13)12(18)19-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17) |
| Isomeric SMILES | C1CN(CC1(C(=O)O)F)C(=O)OCC2=CC=CC=C2 |
| PubChem CID | 71758280 |
| Molecular Weight | 267.26 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Pyrrolidine carboxylic acids Carbamate esters Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Carbamic acid ester - Pyrrolidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| External Descriptors | Not available |
| Molecular Weight | 267.250 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 267.091 Da |
| Monoisotopic Mass | 267.091 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 357.000 |
| 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 |