≥97% 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.
| Canonical Smiles | B(C1=CC(=C(C=C1)C[C@@H](C(=O)O)N)F)(O)O |
|---|---|
| InChIKey | GGGVVBGRTWMSPX-QMMMGPOBSA-N |
| INCHI | 1S/C9H11BFNO4/c11-7-4-6(10(15)16)2-1-5(7)3-8(12)9(13)14/h1-2,4,8,15-16H,3,12H2,(H,13,14)/t8-/m0/s1 |
| Isomeric SMILES | B(C1=CC(=C(C=C1)C[C@@H](C(=O)O)N)F)(O)O |
| PubChem CID | 21120595 |
| Molecular Weight | 227 |
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 | Phenylalanine and derivatives |
| Alternative Parents | Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Aralkylamines Fluorobenzenes Aryl fluorides Amino acids Boronic acids Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Organofluorides Organometalloid compounds Organic oxides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Aralkylamine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid - Boronic acid derivative - Boronic acid - Organic metalloid salt - Carboxylic acid - Monocarboxylic acid or derivatives - Primary aliphatic amine - Organofluoride - Organonitrogen compound - Amine - Carbonyl group - Organooxygen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organic metalloid moeity - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 227.000 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 227.077 Da |
| Monoisotopic Mass | 227.077 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 254.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
