2-chloro-5-trifluoromethylphenylboronic acid MIDA ester

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Catalog Number

ACMA00015401

Product Name

2-chloro-5-trifluoromethylphenylboronic acid MIDA ester

Category

Salt

IUPAC Name

2-[2-chloro-5-(trifluoromethyl)phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

Molecular Weight

335.47g/mol

Molecular Formula

C12H10BClF3NO4

Canonical SMILES

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

InChI

InChI=1S/C12H10BClF3NO4/c1-18-5-10(19)21-13(22-11(20)6-18)8-4-7(12(15,16)17)2-3-9(8)14/h2-4H,5-6H2,1H3

InChI Key

FKDBNMRMKOOXQF-UHFFFAOYSA-N

Complexity

431

Covalently-Bonded Unit Count

Exact Mass

335.03435g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

335.03435g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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