1310404-51-3 Purity
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Specification
The molecular formula is C12H17BFNO2.
The molecular weight is 237.08 g/mol.
The IUPAC name is 2-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
The InChI is InChI=1S/C12H17BFNO2/c1-8-7-15-10(14)6-9(8)13-16-11(2,3)12(4,5)17-13/h6-7H,1-5H3.
The InChIKey is UAPUIZLKGCQCRM-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2C)F.
The CAS number is 755027-42-0.
The hydrogen bond donor count is 0.
The hydrogen bond acceptor count is 4.
The topological polar surface area is 31.4Ų.