864754-21-2 Purity
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The molecular formula is C17H25BO4.
The molecular weight is 304.2 g/mol.
The IUPAC name is tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.
The InChI is InChI=1S/C17H25BO4/c1-15(2,3)20-14(19)12-9-8-10-13(11-12)18-21-16(4,5)17(6,7)22-18/h8-11H,1-7H3.
The InChIKey is VOLNBIZKQGSQMP-UHFFFAOYSA-N.
The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)OC(C)(C)C.
The compound has 0 hydrogen bond donor count.
The compound has 4 hydrogen bond acceptor count.
The compound has 4 rotatable bond count.
The topological polar surface area is 44.8Ų.