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

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Catalog Number

ACM214360459

Product Name

Structure

CAS

214360-45-9

Category

Heterocyclic Organic Compound

IUPAC Name

3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

Molecular Weight

215.06g/mol

Molecular Formula

C12H14BNO2

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

Exact Mass

215.111759g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

215.111759g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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