CAS 76301-94-5

6-Chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid

Description:

6-Chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid, with the CAS number 76301-94-5, is a chemical compound characterized by its bicyclic structure, which includes a benzopyran moiety. This compound features a chloro substituent at the 6-position and a carboxylic acid group at the 4-position, contributing to its reactivity and potential biological activity. The presence of the chloro group can influence its solubility and interaction with biological targets. Typically, compounds of this class may exhibit properties such as antioxidant activity, and they may be investigated for their potential therapeutic applications. The dihydrobenzopyran structure suggests that it may participate in various chemical reactions, including electrophilic substitutions and nucleophilic additions. Additionally, the carboxylic acid functionality can engage in hydrogen bonding, affecting its solubility in polar solvents. Overall, this compound's unique structural features make it of interest in medicinal chemistry and organic synthesis.

Formula: C₁₀H₉ClO₃

InChI: InChI=1S/C10H9ClO3/c11-6-1-2-9-8(5-6)7(10(12)13)3-4-14-9/h1-2,5,7H,3-4H2,(H,12,13)

InChI key: InChIKey=KDOXMLTXESQYSR-UHFFFAOYSA-N

SMILES: C(O)(=O)C1C=2C(=CC=C(Cl)C2)OCC1

Synonyms:

• 2H-1-Benzopyran-4-carboxylic acid, 6-chloro-3,4-dihydro-
• 6-Chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid
• 6-Chlorochroman-4-carboxylic acid

6-Chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid

CAS: 76301-94-5

Versatile small molecule scaffold

Formula: C₁₀H₉ClO₃

Purity: Min. 95%

Molecular weight: 212.63 g/mol

Ref: 3D-BDA30194