72824-04-5 Purity
99.5%+
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Specification
The molecular formula is C13H20BNO2.
The molecular weight is 233.12 g/mol.
The IUPAC name is 2-ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
The InChI is InChI=1S/C13H20BNO2/c1-6-11-8-7-10(9-15-11)14-16-12(2,3)13(4,5)17-14/h7-9H,6H2,1-5H3.
The InChIKey is KAKCLWUKLSECEM-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)CC.
The CAS number is 741709-61-5.
The molecular weight is 233.12 g/mol.
It has 3 hydrogen bond acceptor counts.
Yes, it is a canonicalized compound.