3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)benzonitrile CAS Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)benzonitrile IUPAC Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)benzonitrile Traditional Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-(trifluoromethyl)benzonitrile Formula: C13H13BF3NO2 MolecularWeight: 283.05403

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)C)C2=C(C(=CC=C2)C#N)C(F)(F)F

Isomeric SMILES

B1(OCC(CO1)(C)C)C2=C(C(=CC=C2)C#N)C(F)(F)F

InChI

InChI=1S/C13H13BF3NO2/c1-12(2)7-19-14(20-8-12)10-5-3-4-9(6-18)11(10)13(15,16)17/h3-5H,7-8H2,1-2H3