4-(Trifluoromethoxy)phenylboronic acid MIDA ester

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Catalog Number

ACMA00015372

Product Name

4-(Trifluoromethoxy)phenylboronic acid MIDA ester

Category

Salt

IUPAC Name

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

Molecular Weight

317.03g/mol

Molecular Formula

C12H11BF3NO5

Canonical SMILES

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

InChI

InChI=1S/C12H11BF3NO5/c1-17-6-10(18)21-13(22-11(19)7-17)8-2-4-9(5-3-8)20-12(14,15)16/h2-5H,6-7H2,1H3

InChI Key

WQYSZTIHQKNLDU-UHFFFAOYSA-N

Complexity

406

Covalently-Bonded Unit Count

Exact Mass

317.068237g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

317.068237g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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