2-(4-boronophenyl)-2-methylpropanenitrile - Materials / Alfa Chemistry

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2-(4-boronophenyl)-2-methylpropanenitrile

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Catalog Number

ACMA00015175

Product Name

2-(4-boronophenyl)-2-methylpropanenitrile

Category

Salt

IUPAC Name

[4-(2-cyanopropan-2-yl)phenyl]boronic acid

Molecular Weight

189.02g/mol

Molecular Formula

C10H12BNO2

Canonical SMILES

B(C1=CC=C(C=C1)C(C)(C)C#N)(O)O

InChI

InChI=1S/C10H12BNO2/c1-10(2,7-12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,1-2H3

InChI Key

BNXBFDTWYHAEIR-UHFFFAOYSA-N

Complexity

236

Covalently-Bonded Unit Count

Exact Mass

189.096109g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

189.096109g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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