3-(Tetrahydrofurfurylaminocarbonyl)phenylboronic acid pinacol ester

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Catalog Number

ACMA00014863

Product Name

3-(Tetrahydrofurfurylaminocarbonyl)phenylboronic acid pinacol ester

Category

Salt

IUPAC Name

N-(oxolan-2-ylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

Molecular Weight

331.2g/mol

Molecular Formula

C18H26BNO4

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCC3CCCO3

InChI

InChI=1S/C18H26BNO4/c1-17(2)18(3,4)24-19(23-17)14-8-5-7-13(11-14)16(21)20-12-15-9-6-10-22-15/h5,7-8,11,15H,6,9-10,12H2,1-4H3,(H,20,21)

InChI Key

KHXJYLFLGVPADA-UHFFFAOYSA-N

Complexity

452

Covalently-Bonded Unit Count

Exact Mass

331.195489g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

331.195489g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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