CAS
867333-43-5 Purity
96%
867333-43-5 Purity
96%
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The molecular formula is C8H7BBrFO4.
The PubChem CID is 74890484.
The IUPAC name is (4-bromo-2-fluoro-3-methoxycarbonylphenyl)boronic acid.
The InChI is InChI=1S/C8H7BBrFO4/c1-15-8(12)6-5(10)3-2-4(7(6)11)9(13)14/h2-3,13-14H,1H3.
The InChIKey is JWWWXGSGSHHRCJ-UHFFFAOYSA-N.
The molecular weight is 276.85 g/mol.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 5.
The rotatable bond count is 3.
Yes, it is the canonicalized form.