3-Formyl-5-(trifluoromethoxy)phenylboronic acid pinacol ester

• CAS: 1112209-48-9
• Catalog Number: ACM1112209489
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C14H16BF3O4.

What is the molecular weight of the compound?

The molecular weight of the compound is 316.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)benzaldehyde.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H16BF3O4/c1-12(2)13(3,4)22-15(21-12)10-5-9(8-19)6-11(7-10)20-14(16,17)18/h5-8H,1-4H3.

What is the InChIKey of the compound?

The InChIKey of the compound is GFHMALKDEOCONV-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC(F)(F)F)C=O.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 7 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 44.8Ų.