4-(2,3-Dimethylphenylcarbamoyl)phenylboronic acid

• CAS: 913835-36-6
• Catalog Number: ACM913835366
• Category: Boronic Acids
• Molecular Weight: 269.10344
• Molecular Formula: C₁₅H₁₆BNO₃
• Synonyms: 913835-36-6, N-(2,3-Dimethylphenyl) 4-boronobenzamide, SureCN2561217, ACMC-209r96, CTK3I6402, MolPort-001-767-791, ANW-39592, OR3792, AKOS015833629, AG-H-74907, KB-55273, N-(2,3-Dimethylphenyl)4-boronobenzamide, 4-Borono-N-(2,3-dimethylphenyl)benzamide, N-(2,3-Dimethylphenyl) 4-boronobenzamide,, X1450, B-5598, 4-(2,3-Dimethylphenylcarbamoyl)phenylboronic acid, 4-[(2,3-dimethylphenyl)carbamoyl]phenylboronic acid, 4-[(2,3-Dimethylphenyl)carbamoyl]benzeneboronic acid, I01-10660
• IUPAC Name: [4-[(2,3-dimethylphenyl)carbamoyl]phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)(O)O
• InChI Key: XMQJSFXFADVYRR-UHFFFAOYSA-N
• Density: 1.22g/cm³
• Exact Mass: 269.12200
• Hazard Statements: Xi
• H-Bond Acceptor: 3
• H-Bond Donor: 3

Custom Q&A

What is the IUPAC name of the compound with PubChem CID 44119161?

[4-[(2,3-dimethylphenyl)carbamoyl]phenyl]boronic acid

What is the InChIKey of the compound?

XMQJSFXFADVYRR-UHFFFAOYSA-N

What is the Canonical SMILES of the compound?

B(C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2C)C)(O)O

What is the molecular weight of the compound?

269.11 g/mol

How many hydrogen bond donor counts are there in the compound?

3

What is the exact mass of the compound?

269.1223235 g/mol

What is the topological polar surface area of the compound?

69.6Ų

How many rotatable bond counts are there in the compound?

3

Is the compound canonicalized?

Yes

When was the compound last modified in PubChem?

2023-12-02