3-Chloro-2-formylphenylboronic acid pinacol ester

• CAS: 1352129-62-4
• Catalog Number: ACM1352129624
• Category: Boronic Esters

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-chloro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H16BClO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(15)9(10)8-16/h5-8H,1-4H3.

What is the InChIKey of the compound?

The InChIKey of the compound is DVUIUQDBTIPHFS-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=C(C(=CC=C2)Cl)C=O.

What is the molecular weight of the compound?

The molecular weight of the compound is 266.53 g/mol.

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 3 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 2 rotatable bond count.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 35.5Ų.

How many heavy atoms does the compound have?

The compound has 18 heavy atoms.