3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester

Name: 3-Trifluoromethyl-1H-pyrazole-4-boronic acid pinacol ester
SKU: ACM1218790409-1
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Catalog NumberACM1218790409-1

CAS Number1218790-40-9

CategorySalt

IUPAC Name

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)-1H-pyrazole

Molecular Weight

262.04g/mol

Molecular Formula

C10H14BF3N2O2

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2)C(F)(F)F

InChI

InChI=1S/C10H14BF3N2O2/c1-8(2)9(3,4)18-11(17-8)6-5-15-16-7(6)10(12,13)14/h5H,1-4H3,(H,15,16)

InChI Key

WHYPQJYBTNZKBY-UHFFFAOYSA-N

Complexity

320

Covalently-Bonded Unit Count

Exact Mass

262.110042g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

262.110042g/mol

Rotatable Bond Count

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