CAS
1218790-95-4 Purity
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1218790-95-4 Purity
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The molecular formula is C5H4BF2NO2.
The molecular weight is 158.90 g/mol.
It was created on September 7, 2005.
The IUPAC name is (3,5-difluoropyridin-4-yl)boronic acid.
The InChI is InChI=1S/C5H4BF2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2,10-11H.
The Canonical SMILES is B(C1=C(C=NC=C1F)F)(O)O.
The CAS number is 956003-87-5.
It has 2 hydrogen bond donor count.
It has 5 hydrogen bond acceptor count.
The topological polar surface area is 53.4Ų.