3-(cyanomethyl)benzeneboronic acid pinacol ester

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Catalog Number

ACMA00014938

Product Name

3-(cyanomethyl)benzeneboronic acid pinacol ester

Category

Salt

IUPAC Name

2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetonitrile

Molecular Weight

243.11g/mol

Molecular Formula

C14H18BNO2

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CC#N

InChI

InChI=1S/C14H18BNO2/c1-13(2)14(3,4)18-15(17-13)12-7-5-6-11(10-12)8-9-16/h5-7,10H,8H2,1-4H3

InChI Key

LIWPKYSGWSFPEE-UHFFFAOYSA-N

Complexity

342

Covalently-Bonded Unit Count

Exact Mass

243.143059g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

243.143059g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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