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CAS 1314987-34-2

:

Benzoic acid, 2-amino-5-bromo-4-fluoro-, methyl ester

Description:
Benzoic acid, 2-amino-5-bromo-4-fluoro-, methyl ester, identified by its CAS number 1314987-34-2, is an organic compound characterized by the presence of a benzoic acid moiety modified with an amino group and halogen substituents. This compound features a methyl ester functional group, which enhances its solubility in organic solvents and may influence its reactivity. The presence of the amino group suggests potential for hydrogen bonding and reactivity in nucleophilic substitution reactions. The bromine and fluorine substituents introduce unique electronic properties, potentially affecting the compound's acidity, polarity, and overall stability. Typically, such halogenated compounds exhibit interesting biological activities, making them of interest in pharmaceutical research. The molecular structure indicates that it may participate in various chemical reactions, including esterification and amination, and could serve as a precursor for synthesizing more complex molecules. Overall, this compound's unique combination of functional groups and substituents positions it as a valuable entity in organic synthesis and medicinal chemistry.
Formula:C8H7BrFNO2
InChI:InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3
InChI key:InChIKey=KCEZKHRRFNEJGO-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N)C=C(F)C(Br)=C1
Synonyms:
  • Benzoic acid, 2-amino-5-bromo-4-fluoro-, methyl ester
  • Methyl 2-amino-5-bromo-4-fluorobenzoate
  • 2-Amino-5-bromo-4-fluoro-benzoic acid methyl ester
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