3-(Tert-butoxycarbonyl)phenyl boronic acid pinacol ester

• CAS: 903895-48-7
• Catalog Number: ACM903895487-1
• Category: Other

Custom Q&A

What is the molecular formula of the compound mentioned in the reference?

The molecular formula is C17H25BO4.

What is the molecular weight of the compound?

The molecular weight is 304.2 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.

What is the InChI of the compound?

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.

What is the InChIKey of the compound?

The InChIKey is VOLNBIZKQGSQMP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)OC(C)(C)C.

How many hydrogen bond donor count does the compound have?

The compound has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 4 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 4 rotatable bond count.

What is the topological polar surface area of the compound?

The topological polar surface area is 44.8Ų.