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CAS 1131615-12-7

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Benzoic acid, 3-bromo-4-(1-pyrrolidinyl)-

Description:
Benzoic acid, 3-bromo-4-(1-pyrrolidinyl)-, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety substituted with a bromine atom and a pyrrolidine group. The presence of the bromine atom at the 3-position of the benzene ring introduces both steric and electronic effects, potentially influencing the compound's reactivity and interaction with biological systems. The 4-(1-pyrrolidinyl) substituent contributes to the compound's lipophilicity and may enhance its ability to penetrate biological membranes. This compound is likely to exhibit acidic properties due to the carboxylic acid functional group, which can donate protons in solution. Additionally, the pyrrolidine ring may impart basic characteristics, allowing for potential interactions with various biological targets. Overall, the unique combination of functional groups in this compound suggests it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific properties such as solubility, melting point, and biological activity would require empirical investigation for comprehensive understanding.
Formula:C11H12BrNO2
InChI:InChI=1S/C11H12BrNO2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI key:InChIKey=IYVTXKFQNGDTPN-UHFFFAOYSA-N
SMILES:BrC1=C(C=CC(C(O)=O)=C1)N2CCCC2
Synonyms:
  • Benzoic acid, 3-bromo-4-(1-pyrrolidinyl)-
  • 3-Bromo-4-(pyrrolidin-1-yl)benzoic acid
  • 3-Bromo-4-pyrrolidinobenzoic Acid
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