2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]ethanenitrile

Systemtic Name: 2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]ethanenitrile Openeye Name: 2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]acetonitrile CAS Name: 2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]acetonitrile IUPAC Name: 2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]acetonitrile Traditional Name: 2-[4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]acetonitrile Formula: C13H16BNO2 MolecularWeight: 229.08264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BNO2/c1-13(2)9-16-14(17-10-13)12-5-3-11(4-6-12)7-8-15/h3-6H,7,9-10H2,1-2H3