2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methyl-phenyl]-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methyl-phenyl]-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methyl-phenyl]-5-fluoro-benzonitrile CAS Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methylphenyl]-5-fluorobenzonitrile IUPAC Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methylphenyl]-5-fluorobenzonitrile Traditional Name: 2-[3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2-methyl-phenyl]-5-fluoro-benzonitrile Formula: C19H19BFNO2 MolecularWeight: 323.169063

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3)F)C#N)C

Isomeric SMILES

B1(OCC(CO1)(C)C)C2=C(C(=CC=C2)C3=C(C=C(C=C3)F)C#N)C

InChI

InChI=1S/C19H19BFNO2/c1-13-16(17-8-7-15(21)9-14(17)10-22)5-4-6-18(13)20-23-11-19(2,3)12-24-20/h4-9H,11-12H2,1-3H3