958443-30-6 Purity
---
If you have any other questions or need other size, please get a quote.
Specification
The molecular formula of 3-Difluoromethoxy-4-fluoro-benzeneboronic acid is C7H6BF3O3.
The molecular weight of 3-Difluoromethoxy-4-fluoro-benzeneboronic acid is 205.93 g/mol.
3-Difluoromethoxy-4-fluoro-benzeneboronic acid was created on April 27, 2010.
The IUPAC name of 3-Difluoromethoxy-4-fluoro-benzeneboronic acid is [3-(difluoromethoxy)-4-fluorophenyl]boronic acid.
The InChI of 3-Difluoromethoxy-4-fluoro-benzeneboronic acid is InChI=1S/C7H6BF3O3/c9-5-2-1-4(8(12)13)3-6(5)14-7(10)11/h1-3,7,12-13H.
The InChIKey of 3-Difluoromethoxy-4-fluoro-benzeneboronic acid is IQCNHLWEOWQMOW-UHFFFAOYSA-N.
The canonical SMILES of 3-Difluoromethoxy-4-fluoro-benzeneboronic acid is B(C1=CC(=C(C=C1)F)OC(F)F)(O)O.
3-Difluoromethoxy-4-fluoro-benzeneboronic acid has 2 hydrogen bond donor counts.
3-Difluoromethoxy-4-fluoro-benzeneboronic acid has 6 hydrogen bond acceptor counts.
3-Difluoromethoxy-4-fluoro-benzeneboronic acid has 3 rotatable bond counts.