5-Fluoro-2-methylbenzoxazole

CAS: 701-16-6

Ref. 3D-FF75381

Product Information

• Name: 5-Fluoro-2-methylbenzoxazole
• Synonyms: 5-Fluoro-2-Methyl-1,3-Benzoxazole

Description

5-Fluoro-2-methylbenzoxazole is a gaseous molecule that belongs to the class of protonated heterocycles. 5-Fluoro-2-methylbenzoxazole has been studied theoretically and computationally by means of computational chemistry, calorimetry, and thermochemical methods. The enthalpies and energies of formation have been calculated using a variety of theoretical methods, including density functional theory, linear combination of atomic orbitals, and Møller-Plesset perturbation theory. Computational models have been developed for the gaseous phase and liquid phase. Experimental results are available for basicities as well as affinities with H+, Cl-, NO3-, SO42-, NH3+, CO32-, OH-.

• Brand: Biosynth

Chemical properties

• Molecular weight: 151.14 g/mol
• Formula: C₈H₆FNO
• Purity: Min. 95%
• InChI: InChI=1S/C8H6FNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
• InChI key: InChIKey=GYRZYFSJULFMCS-UHFFFAOYSA-N
• SMILES: Cc1nc2cc(F)ccc2o1