Benzoic acid, 2,3-diamino-5-fluoro-


Chemical Name: Benzoic acid, 2,3-diamino-5-fluoro-
CAS Number: 177960-38-2
Product Number: AG0025NE(AGN-PC-03OX61)
Synonyms:
MDL No:
Molecular Formula: C7H7FN2O2
Molecular Weight: 170.1411

Identification/Properties


Computed Properties
Molecular Weight:
170.143g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
170.049g/mol
Monoisotopic Mass:
170.049g/mol
Topological Polar Surface Area:
89.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
188
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2,3-Diamino-5-fluorobenzoic acid, commonly known as $name$, is a versatile compound widely used in chemical synthesis. This compound serves as a key building block in the creation of various pharmaceuticals, agrochemicals, and organic materials. In organic synthesis, $name$ is particularly valued for its ability to introduce fluorine atoms into complex molecular structures, a crucial step in designing biologically active compounds with improved properties.One prominent application of 2,3-Diamino-5-fluorobenzoic acid is in the synthesis of fluorinated analogs of aromatic amino acids. The incorporation of fluorine into amino acid derivatives can lead to enhanced biological activities, such as improved pharmacokinetics or increased target specificity. Additionally, these fluorinated compounds are valuable tools in medicinal chemistry for drug discovery and development.Moreover, 2,3-Diamino-5-fluorobenzoic acid is utilized in the preparation of fluorinated peptides and peptidomimetics, which are essential in studying protein-protein interactions and designing novel therapeutic agents. By strategically incorporating fluorine atoms into peptide structures, researchers can modulate the conformation, stability, and binding affinities of these molecules, opening up new possibilities in drug design and molecular biology.Overall, the strategic use of 2,3-Diamino-5-fluorobenzoic acid in chemical synthesis enables scientists to access a diverse array of fluorinated compounds with unique properties and applications across various fields of chemistry and biomedicine.