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

Systemtic Name: 4-chloranyl-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzenecarbonitrile Openeye Name: 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile CAS Name: 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile IUPAC Name: 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile Traditional Name: 4-chloro-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile Formula: C12H13BClNO2 MolecularWeight: 249.50112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13BClNO2/c1-12(2)7-16-13(17-8-12)10-5-9(6-15)3-4-11(10)14/h3-5H,7-8H2,1-2H3