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CAS 86819-50-3

:

propan-2-yl 5-amino-2-chlorobenzoate

Description:
Propan-2-yl 5-amino-2-chlorobenzoate, also known by its CAS number 86819-50-3, is an organic compound characterized by its ester functional group, which is derived from benzoic acid. This compound features a propan-2-yl (isopropyl) group attached to the carboxylate portion, contributing to its solubility and volatility. The presence of a 5-amino group indicates that it has an amino functional group (-NH2) at the 5-position of the benzene ring, which can participate in hydrogen bonding and influence its reactivity and biological activity. Additionally, the 2-chloro substitution introduces a chlorine atom at the 2-position of the benzene ring, which can affect the compound's electronic properties and steric hindrance. Overall, propan-2-yl 5-amino-2-chlorobenzoate is likely to exhibit moderate polarity, making it soluble in organic solvents while having limited solubility in water. Its unique structure may confer specific pharmacological properties, making it of interest in medicinal chemistry and related fields.
Formula:C10H12ClNO2
InChI:InChI=1/C10H12ClNO2/c1-6(2)14-10(13)8-5-7(12)3-4-9(8)11/h3-6H,12H2,1-2H3
SMILES:CC(C)OC(=O)c1cc(ccc1Cl)N
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