[4-(trifluoromethyl)pyridin-3-yl]boronic acid hydrate

Systemtic Name: [4-(trifluoromethyl)pyridin-3-yl]boronic acid hydrate Openeye Name: [4-(trifluoromethyl)-3-pyridyl]boronic acid hydrate CAS Name: [4-(trifluoromethyl)-3-pyridinyl]boronic acid hydrate IUPAC Name: [4-(trifluoromethyl)pyridin-3-yl]boronic acid hydrate Traditional Name: [4-(trifluoromethyl)-3-pyridyl]boronic acid hydrate Formula: C6H7BF3NO3 MolecularWeight: 208.93089

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=CN=C1)C(F)(F)F)(O)O.O

Isomeric SMILES

B(C1=C(C=CN=C1)C(F)(F)F)(O)O.O

InChI

InChI=1S/C6H5BF3NO2.H2O/c8-6(9,10)4-1-2-11-3-5(4)7(12)13;/h1-3,12-13H;1H2