2,6-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 2,6-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluoranyl-benzenecarbonitrile Openeye Name: 2,6-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluoro-benzonitrile CAS Name: 2,6-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluorobenzonitrile IUPAC Name: 2,6-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluorobenzonitrile Traditional Name: 2,6-bis(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-3-fluoro-benzonitrile Formula: C17H22B2FNO4 MolecularWeight: 344.981283

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)(C)C)C2=C(C(=C(C=C2)F)B3OCC(CO3)(C)C)C#N

Isomeric SMILES

B1(OCC(CO1)(C)C)C2=C(C(=C(C=C2)F)B3OCC(CO3)(C)C)C#N

InChI

InChI=1S/C17H22B2FNO4/c1-16(2)8-22-18(23-9-16)13-5-6-14(20)15(12(13)7-21)19-24-10-17(3,4)11-25-19/h5-6H,8-11H2,1-4H3