3-(Benzylcarbamoyl)-4-fluorophenylboronic acid

• CAS: 874219-22-4
• Catalog Number: ACM874219224
• Category: Boronic Acids
• Molecular Weight: 273.07
• Molecular Formula: C₁₄H₁₃BFNO₃
• Synonyms: 874219-22-4, 3-(Benzylcarbamoyl)-4-fluorophenylboronic acid, 3-(Benzylcarbamoyl)-4-fluorobenzeneboronic acid, ACMC-209qkn, CTK5F8355, MolPort-001-776-305, ANW-38709, PC5022, AKOS015839369, AG-H-52721, AK-62034, KB-27427, X1426, B-4058, 3-(Benzylcarbamoyl)-4-fluorophenylboronic acid,, (3-(Benzylcarbamoyl)-4-fluorophenyl)boronic acid, A842139, I04-2150, [4-fluoranyl-3-[(phenylmethyl)carbamoyl]phenyl]boronic acid, [4-fluoro-3-[oxo-[(phenylmethyl)amino]methyl]phenyl]boronic acid
• IUPAC Name: [3-(benzylcarbamoyl)-4-fluorophenyl]boronic acid
• Canonical SMILES: B(C1=CC(=C(C=C1)F)C(=O)NCC2=CC=CC=C2)(O)O
• InChI Key: UQDRNEMSUVDKAT-UHFFFAOYSA-N
• H-Bond Acceptor: 4
• H-Bond Donor: 3

Custom Q&A

What is the IUPAC name of the compound?

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

What is the molecular weight of the compound?

The molecular weight of the compound is 273.07 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H13BFNO3/c16-13-7-6-11(15(19)20)8-12(13)14(18)17-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18).

What is the CAS number of the compound?

The CAS number of the compound is 874219-22-4.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

What is the exact mass of the compound?

The exact mass of the compound is 273.0972516 g/mol.

What is the topological polar surface area of the compound?

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

How many heavy atom counts does the compound have?

The compound has 20 heavy atom counts.