2-(3-Cyanophenyl)-5,5μ-dimethyl-1,3,2-dioxaborinane

• CAS: 214360-45-9
• Catalog Number: ACM214360459
• Category: Other Products
• Molecular Weight: 215.06g/mol
• Molecular Formula: C12H14BNO2
• IUPAC Name: 3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile
• Canonical SMILES: B1(OCC(CO1)(C)C)C2=CC(=CC=C2)C#N
• InChI: InChI=1S/C12H14BNO2/c1-12(2)8-15-13(16-9-12)11-5-3-4-10(6-11)7-14/h3-6H,8-9H2,1-2H3
• InChI Key: RTYUBKQTFNAFQC-UHFFFAOYSA-N
• Complexity: 287
• Covalently-Bonded Unit Count: 1
• Exact Mass: 215.111759g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 16
• Monoisotopic Mass: 215.111759g/mol
• Rotatable Bond Count: 1