1310404-02-4 Purity
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The molecular formula of 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid is C6H4BClF3NO2.
The molecular weight of 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid is 225.36 g/mol.
The IUPAC name of 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid is [2-chloro-5-(trifluoromethyl)pyridin-4-yl]boronic acid.
The InChI of 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid is InChI=1S/C6H4BClF3NO2/c8-5-1-4(7(13)14)3(2-12-5)6(9,10)11/h1-2,13-14H.
The InChIKey of 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid is GBNMDZQANRHEDY-UHFFFAOYSA-N.
The canonical SMILES of 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid is B(C1=CC(=NC=C1C(F)(F)F)Cl)(O)O.
The CAS number of 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid is 1167437-28-6.
There are 2 hydrogen bond donor counts in 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid.
There are 6 hydrogen bond acceptor counts in 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid.
There is 1 rotatable bond count in 2-Chloro-5-(trifluoromethyl)pyridine-4-boronic acid.