CAS 736136-14-4

trans-4-(3-Bromobenzoyl)cyclohexanecarboxylic acid

Description:

Trans-4-(3-Bromobenzoyl)cyclohexanecarboxylic acid is an organic compound characterized by its cyclohexane ring structure substituted with a carboxylic acid group and a bromobenzoyl moiety. The "trans" configuration indicates that the substituents are positioned on opposite sides of the cyclohexane ring, which can influence the compound's physical and chemical properties, such as its melting point and solubility. The presence of the bromine atom in the 3-position of the benzoyl group introduces significant electronegativity, potentially enhancing the compound's reactivity and polarity. This compound may exhibit interesting biological activities due to its structural features, making it a candidate for further research in medicinal chemistry. Additionally, the carboxylic acid functional group can participate in hydrogen bonding, affecting its solubility in polar solvents. Overall, trans-4-(3-Bromobenzoyl)cyclohexanecarboxylic acid is a complex molecule with potential applications in various fields, including pharmaceuticals and materials science.

Formula: C₁₄H₁₅BrO₃

InChI: InChI=1/C14H15BrO3/c15-12-3-1-2-11(8-12)13(16)9-4-6-10(7-5-9)14(17)18/h1-3,8-10H,4-7H2,(H,17,18)/t9-,10-

InChI key: InChIKey=PNLUUWXXVKDKPP-MGCOHNPYNA-N

SMILES: C(=O)([C@H]1CC[C@H](C(O)=O)CC1)C2=CC(Br)=CC=C2

Synonyms:

• Cyclohexanecarboxylic acid, 4-(3-bromobenzoyl)-, trans-
• trans-4-(3-Bromobenzoyl)cyclohexanecarboxylic acid