3-(N,N-diethylaminocarbonyl)phenylboronic acid

• CAS: 237413-05-7
• Catalog Number: ACM237413057
• Category: Boro-Amino Acids
• Molecular Weight: 221.06
• Molecular Formula: C₁₁H₁₆BNO₃

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is [3-(diethylcarbamoyl)phenyl]boronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C11H16BNO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 221.06 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H16BNO3/c1-3-13(4-2)11(14)9-6-5-7-10(8-9)12(15)16/h5-8,15-16H,3-4H2,1-2H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=CC(=CC=C1)C(=O)N(CC)CC)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 237413-05-7.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor count does the compound have?

The compound has 3 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.