4-(trifluoromethyl)pyridine-3-boronic acid hydrate

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Catalog Number

ACMA00015317

Product Name

4-(trifluoromethyl)pyridine-3-boronic acid hydrate

Category

Salt

IUPAC Name

[4-(trifluoromethyl)pyridin-3-yl]boronic acid;hydrate

Molecular Weight

208.93g/mol

Molecular Formula

C6H7BF3NO3

Canonical SMILES

B(C1=C(C=CN=C1)C(F)(F)F)(O)O.O

InChI

InChI=1S/C6H5BF3NO2.H₂O/c8-6(9,10)4-1-2-11-3-5(4)7(12)13;/h1-3,12-13H;1H2

InChI Key

CKGIYHYJVBVRFH-UHFFFAOYSA-N

Complexity

176

Covalently-Bonded Unit Count

Exact Mass

209.047108g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

209.047108g/mol

Rotatable Bond Count

MSDS

COA

Spec Sheet

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