2-Acetamidophenylboronic acid

• CAS: 169760-16-1
• Catalog Number: ACM169760161
• Category: Boronic Acids
• Molecular Weight: 178.98
• Molecular Formula: C₈H₁₀BNO₃
• Synonyms: 2-Acetamidophenylboronic acid, 2-Carbamoylbenzeneboronic acid, 2-Acetylaminophenylboronic acid, 683906_ALDRICH, (2-acetamidophenyl)boronic acid, BM153, ALBB-006110, TL8007116, 169760-16-1
• IUPAC Name: (2-acetamidophenyl)boronic acid
• Canonical SMILES: B(C1=CC=CC=C1NC(=O)C)(O)O
• InChI Key: UMOPBIVXPOETPG-UHFFFAOYSA-N
• Melting Point: 300ºC
• Density: 1.23g/cm³
• Exact Mass: 179.07500
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Safety Description: 26-36/37/39

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is (2-acetamidophenyl)boronic acid.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H10BNO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 178.98 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H10BNO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5,12-13H,1H3,(H,10,11).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=CC=CC=C1NC(=O)C)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 169760-16-1.

What is the EC number of the compound?

The EC number of the compound is 674-100-3.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 3.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 3.