958453-70-8 Purity
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Specification
The molecular formula of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is C8H10BFO3S.
The molecular weight of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is 216.04 g/mol.
The IUPAC name of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is [5-fluoro-2-(methylsulfanylmethoxy)phenyl]boronic acid.
The InChI of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is InChI=1S/C8H10BFO3S/c1-14-5-13-8-3-2-6(10)4-7(8)9(11)12/h2-4,11-12H,5H2,1H3.
The InChIKey of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is AMTQOWVPOILCTO-UHFFFAOYSA-N.
The canonical SMILES of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is B(C1=C(C=CC(=C1)F)OCSC)(O)O.
The CAS number of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is 958454-07-4.
The hydrogen bond donor count of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is 2.
The hydrogen bond acceptor count of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is 5.
The topological polar surface area of 5-Fluoro-2-methylsulfanylmethoxy-benzeneboronic acid is 75.2.