945756-49-0 Purity
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The molecular formula of 4-Trifluoromethylpyridine-3-boronicacid is C6H5BF3NO2.
The molecular weight of 4-Trifluoromethylpyridine-3-boronicacid is 190.92 g/mol.
The IUPAC name of 4-Trifluoromethylpyridine-3-boronicacid is [4-(trifluoromethyl)pyridin-3-yl]boronic acid.
The InChI of 4-Trifluoromethylpyridine-3-boronicacid is InChI=1S/C6H5BF3NO2/c8-6(9,10)4-1-2-11-3-5(4)7(12)13/h1-3,12-13H.
The InChIKey of 4-Trifluoromethylpyridine-3-boronicacid is GPOLKFXETWUREM-UHFFFAOYSA-N.
The canonical SMILES of 4-Trifluoromethylpyridine-3-boronicacid is B(C1=C(C=CN=C1)C(F)(F)F)(O)O.
The CAS number of 4-Trifluoromethylpyridine-3-boronicacid is 947533-41-7.
4-Trifluoromethylpyridine-3-boronicacid has 2 hydrogen bond donor counts.
4-Trifluoromethylpyridine-3-boronicacid has 6 hydrogen bond acceptor counts.
The topological polar surface area of 4-Trifluoromethylpyridine-3-boronicacid is 53.4 Ų.