3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester

• CAS: 1451391-16-4
• Catalog Number: ACM1451391164
• Category: Boronic Esters

Custom Q&A

What is the molecular formula of 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

The molecular formula is C12H15BF2O3.

What is the PubChem CID of 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

The PubChem CID is 72221141.

What is the IUPAC name of 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

The IUPAC name is 2,4-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol.

What is the InChI of 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

The InChI is InChI=1S/C12H15BF2O3/c1-11(2)12(3,4)18-13(17-11)8-5-7(14)6-9(15)10(8)16/h5-6,16H,1-4H3.

What is the InChIKey of 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

The InChIKey is LXRKTJYRVGXRII-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2O)F)F.

What is the molecular weight of 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

The molecular weight is 256.06 g/mol.

How many hydrogen bond donor counts are there in 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

There is 1 hydrogen bond donor.

How many hydrogen bond acceptor counts are there in 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

There are 5 hydrogen bond acceptors.

How many rotatable bond counts are there in 3,5-Difluoro-2-hydroxyphenylboronic acid pinacol ester?

There is 1 rotatable bond.