3-(Trifluoromethyl)phenylboronic acid MIDA ester

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Catalog Number

ACMA00015375

Product Name

3-(Trifluoromethyl)phenylboronic acid MIDA ester

Category

Salt

IUPAC Name

6-methyl-2-[3-(trifluoromethyl)phenyl]-1,3,6,2-dioxazaborocane-4,8-dione

Molecular Weight

301.03g/mol

Molecular Formula

C12H11BF3NO4

Canonical SMILES

B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C12H11BF3NO4/c1-17-6-10(18)20-13(21-11(19)7-17)9-4-2-3-8(5-9)12(14,15)16/h2-5H,6-7H2,1H3

InChI Key

LLURJNPFJFOREC-UHFFFAOYSA-N

Complexity

398

Covalently-Bonded Unit Count

Exact Mass

301.073323g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

301.073323g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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