3-(N-Benzylaminocarbonyl)phenylboronic acid

• CAS: 625470-96-4
• Catalog Number: ACM625470964
• Category: Boronic Acids
• Molecular Weight: 255.08
• Molecular Formula: C₁₄H₁₄BNO₃
• Synonyms: N-BENZYL 3-BORONOBENZAMIDE;3-[(BENZYLAMINO)CARBONYL]PHENYLBORONIC ACID;3-(N-BENZYLAMINOCARBONYL)BENZENEBORONIC ACID;3-(N-BENZYLAMINOCARBONYL)PHENYLBORONIC ACID;3-(Benzylcarbamoyl)benzeneboronic acid;3-(Benzylcarbamoyl)benzeneboronic acid 98%;3-(N-Benzylam

Custom Q&A

What is the IUPAC name of the compound?

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

What is the InChI code of the compound?

The InChI code of the compound is InChI=1S/C14H14BNO3/c17-14(16-10-11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(18)19/h1-9,18-19H,10H2,(H,16,17).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=CC(=CC=C1)C(=O)NCC2=CC=CC=C2)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 625470-96-4.

What is the molecular weight of the compound?

The molecular weight of the compound is 255.08 g/mol.

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 3 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

What is the topological polar surface area of the compound?

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