1-(Phenylsulfonyl)-3-indolylboronic acid MIDA ester

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1-(Phenylsulfonyl)-3-indolylboronic acid MIDA ester

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Catalog Number

ACMA00015417

Product Name

1-(Phenylsulfonyl)-3-indolylboronic acid MIDA ester

Category

Salt

IUPAC Name

2-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Molecular Weight

412.2g/mol

Molecular Formula

C19H17BN2O6S

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CN(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H17BN2O6S/c1-21-12-18(23)27-20(28-19(24)13-21)16-11-22(17-10-6-5-9-15(16)17)29(25,26)14-7-3-2-4-8-14/h2-11H,12-13H2,1H3

InChI Key

REUFZLUZOIJDBP-UHFFFAOYSA-N

Complexity

716

Covalently-Bonded Unit Count

Exact Mass

412.090038g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

412.090038g/mol

Rotatable Bond Count

MSDS

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COA

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Spec Sheet

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