2-cyano-6-methoxyphenyl boronic acid neopentyl glycol ester

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2-cyano-6-methoxyphenyl boronic acid neopentyl glycol ester

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Catalog Number

ACMA00014974

Product Name

2-cyano-6-methoxyphenyl boronic acid neopentyl glycol ester

Category

Salt

IUPAC Name

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

Molecular Weight

245.08g/mol

Molecular Formula

C13H16BNO3

Canonical SMILES

B1(OCC(CO1)(C)C)C2=C(C=CC=C2OC)C#N

InChI

InChI=1S/C13H16BNO3/c1-13(2)8-17-14(18-9-13)12-10(7-15)5-4-6-11(12)16-3/h4-6H,8-9H2,1-3H3

InChI Key

KQEYALGDGSYUCE-UHFFFAOYSA-N

Complexity

328

Covalently-Bonded Unit Count

Exact Mass

245.122323g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

245.122323g/mol

Rotatable Bond Count

MSDS

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COA

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Spec Sheet

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