4-Fluoro-3-(morpholine-4-carbonyl)phenylboronic acid

• CAS: 874219-29-1
• Catalog Number: ACM874219291-1
• Category: Boronic Acids

Custom Q&A

What is the PubChem CID of the compound?

The PubChem CID of the compound is 44717532.

What is the molecular formula of the compound?

The molecular formula of the compound is C11H13BFNO4.

What are some synonyms of the compound?

Some synonyms of the compound are 874219-29-1, 4-Fluoro-3-(morpholine-4-carbonyl)phenylboronic acid, (4-Fluoro-3-(morpholine-4-carbonyl)phenyl)boronic acid, and 4-Fluoro-3-(morpholin-4-ylcarbonyl)benzeneboronic acid.

What is the molecular weight of the compound?

The molecular weight of the compound is 253.04 g/mol.

When was the compound created and last modified?

The compound was created on March 14, 2010, and last modified on December 2, 2023.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [4-fluoro-3-(morpholine-4-carbonyl)phenyl]boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C11H13BFNO4/c13-10-2-1-8(12(16)17)7-9(10)11(15)14-3-5-18-6-4-14/h1-2,7,16-17H,3-6H2.

What is the InChIKey of the compound?

The InChIKey of the compound is DLQOQRNXQBBPSO-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)N2CCOCC2)(O)O.

What are some computed properties of the compound?

Some computed properties of the compound are the molecular weight (253.04 g/mol), hydrogen bond donor count (2), hydrogen bond acceptor count (5), rotatable bond count (2), exact mass (253.0921662 g/mol), monoisotopic mass (253.0921662 g/mol), topological polar surface area (70Ų), heavy atom count (18), formal charge (0), complexity (299), isotope atom count (0), defined atom stereocenter count (0), undefined atom stereocenter count (0), defined bond stereocenter count (0), undefined bond stereocenter count (0), covalently-bonded unit count (1), and whether the compound is canonicalized (Yes).