5-benzothiazole boronic acid pinacol ester - Materials / Alfa Chemistry

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5-benzothiazole boronic acid pinacol ester

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Catalog Number

ACMA00014975

Product Name

5-benzothiazole boronic acid pinacol ester

Category

Salt

IUPAC Name

5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazole

Molecular Weight

261.2g/mol

Molecular Formula

C13H16BNO2S

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)SC=N3

InChI

InChI=1S/C13H16BNO2S/c1-12(2)13(3,4)17-14(16-12)9-5-6-11-10(7-9)15-8-18-11/h5-8H,1-4H3

InChI Key

MGOKEBHEDJCRQN-UHFFFAOYSA-N

Complexity

321

Covalently-Bonded Unit Count

Exact Mass

261.09948g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

261.09948g/mol

Rotatable Bond Count

MSDS

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COA

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Spec Sheet

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