95695-47-9 Purity
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Specification
The molecular formula is C7H7BBrFO3.
It was created on January 26, 2010, and last modified on December 30, 2023.
The IUPAC name is (6-bromo-3-fluoro-2-methoxyphenyl)boronic acid.
The InChIKey is QBCPODUNQONQHF-UHFFFAOYSA-N.
The canonical SMILES representation is B(C1=C(C=CC(=C1OC)F)Br)(O)O.
The exact mass is 247.96556 g/mol.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 49.7 Ų.
It has 2 rotatable bond counts.
Yes, it is a canonicalized compound.