CAS
1203649-61-9 Purity
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1203649-61-9 Purity
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The molecular formula is C5H4BClFNO2.
It was first created on March 14, 2010.
The IUPAC name is (3-chloro-2-fluoropyridin-4-yl)boronic acid.
The Canonical SMILES is B(C1=C(C(=NC=C1)F)Cl)(O)O.
The InChIKey is VYHSSQRGIWMXJE-UHFFFAOYSA-N.
The molecular weight is 175.35 g/mol.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 53.4 Ų.
There are 11 heavy atoms in the compound.
Yes, the compound is canonicalized.