3-(3-Bromophenylcarbamoyl)-4-fluorophenylboronic acid

• CAS: 1451393-30-8
• Catalog Number: ACM1451393308
• Category: Boronic Acids

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C13H10BBrFNO3.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [3-[(3-bromophenyl)carbamoyl]-4-fluorophenyl]boronic acid.

What is the InChI code of the compound?

The InChI code of the compound is InChI=1S/C13H10BBrFNO3/c15-9-2-1-3-10(7-9)17-13(18)11-6-8(14(19)20)4-5-12(11)16/h1-7,19-20H,(H,17,18).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=CC(=C(C=C1)F)C(=O)NC2=CC(=CC=C2)Br)(O)O.

What is the molecular weight of the compound?

The molecular weight of the compound is 337.94 g/mol.

How many hydrogen bond donor atoms are present in the compound?

There are 3 hydrogen bond donor atoms present in the compound.

How many hydrogen bond acceptor atoms are present in the compound?

There are 4 hydrogen bond acceptor atoms present in the compound.

How many rotatable bonds are present in the compound?

There are 3 rotatable bonds present in the compound.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 69.6Ų.