850991-41-2 Purity
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The molecular formula of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is C10H13BFNO3.
The molecular weight of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is 225.03 g/mol.
The IUPAC name of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is [4-fluoro-3-(propan-2-ylcarbamoyl)phenyl]boronic acid.
The InChI of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is InChI=1S/C10H13BFNO3/c1-6(2)13-10(14)8-5-7(11(15)16)3-4-9(8)12/h3-6,15-16H,1-2H3,(H,13,14).
The InChIKey of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is KPQHVEASBVESSL-UHFFFAOYSA-N.
The canonical SMILES of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is B(C1=CC(=C(C=C1)F)C(=O)NC(C)C)(O)O.
The CAS number of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is 874219-21-3.
The hydrogen bond donor count of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is 3.
The hydrogen bond acceptor count of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is 4.
The topological polar surface area of 4-Fluoro-3-(isopropylcarbamoyl)phenylboronic acid is 69.6 Ų.