4-(N-Methylaminocarbonyl)phenylboronic acid

• CAS: 121177-82-0
• Catalog Number: ACM121177820
• Category: Boronic Acids
• Molecular Weight: 178.98
• Molecular Formula: C₈H₁₀BNO₃
• Synonyms: M4328G1, 4-(N-Methylaminocarbonyl)phenylboronic acid, 121177-82-0
• IUPAC Name: [4-(methylcarbamoyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)NC)(O)O
• InChI Key: UWKSYZHFTGONHY-UHFFFAOYSA-N
• Melting Point: 200-220ºC
• Density: 1.23g/cm³
• Exact Mass: 179.07500
• Hazard Statements: Xi
• 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 [4-(methylcarbamoyl)phenyl]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 CAS number of the compound?

The CAS number of the compound is 121177-82-0.

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 2 rotatable bond counts.

What is the exact mass of the compound?

The exact mass of the compound is 179.0753733 g/mol.

What is the topological polar surface area of the compound?

The compound has a topological polar surface area of 69.6Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.