2'-Chloro-biphenyl-4-carboxylic acid

CAS: 3808-93-3

Ref. 3D-FC33149

Información del producto

• Nombre: 2'-Chloro-biphenyl-4-carboxylic acid
• Sinónimos: [1,1'-Biphenyl]-4-carboxylic acid, 2'-chloro-, 2'-Chlorobiphenyl-4-carboxylic acid

Descripción

2'-Chloro-biphenyl-4-carboxylic acid is a conformationally restricted analog of 2'-chloro-4'-hydroxybiphenyl. It is a useful probe for conformational studies because of its ability to form a stable, crystalline salt with cesium chloride and its rigidly constrained conformation. The systematic cyclic chlorine atom has been shown to be important for the conformational stability of the molecule. Crystallographic data from orthorhombic crystals show that the carbonyl oxygen atom adopts a conformation in which it interacts with the chlorine atom and one of the carbonyl groups. There are correlations between the conformations of the carbonyl oxygen atom and the steric interactions between carbon atoms four and five, as well as correlations between these two sets of interactions and those observed in benzene rings.

• Marca: Biosynth

Propiedades químicas

• Peso molecular: 232.66 g/mol
• Fórmula: C₁₃H₉ClO₂
• Pureza: Min. 95%
• InChI: InChI=1S/C13H9ClO2/c14-12-4-2-1-3-11(12)9-5-7-10(8-6-9)13(15)16/h1-8H,(H,15,16)
• Clave InChI: InChIKey=AOTYKBXXCYCXRZ-UHFFFAOYSA-N
• SMILES: O=C(O)c1ccc(-c2ccccc2Cl)cc1