3-(Methylcarbamoyl)phenylboronic acid

• CAS: 832695-88-2
• Catalog Number: ACM832695882
• Category: Boronic Acids
• Molecular Weight: 178.98
• Molecular Formula: C₈H₁₀BNO₃
• Synonyms: 832695-88-2, 3-(N-Methylaminocarbonyl)phenylboronic acid, 3-(Methylcarbamoyl)benzeneboronic acid, 3-(methylcarbamoyl)phenylboronic acid, 3-Borono-N-methylbenzamide, AG-H-32595, 3-(N-Methylaminocarbonyl)benzeneboronic acid, [3-(methylcarbamoyl)phenyl]boronic Acid, ACMC-209prq, AC1MCN2U, SureCN190230, KSC496E8L, CTK3J6285, MolPort-001-759-521, ANW-37668, AKOS005256306, AB17210, LS10846, OR10554, RP03128
• IUPAC Name: [3-(methylcarbamoyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)NC)(O)O
• InChI Key: FYFFPNFUVMBPRZ-UHFFFAOYSA-N
• Melting Point: 114-124ºC
• Density: 1.23g/cm³
• Exact Mass: 179.07500
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Safety Description: 26-36/37/39

Custom Q&A

What is the PubChem CID of 3-(Methylcarbamoyl)phenylboronic acid?

PubChem CID 2773524

What is the molecular formula of 3-(Methylcarbamoyl)phenylboronic acid?

The molecular formula is C8H10BNO3.

What is the molecular weight of 3-(Methylcarbamoyl)phenylboronic acid?

The molecular weight is 178.98 g/mol.

What is the IUPAC name of 3-(Methylcarbamoyl)phenylboronic acid?

The IUPAC name is [3-(methylcarbamoyl)phenyl]boronic acid.

What is the InChI of 3-(Methylcarbamoyl)phenylboronic acid?

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

What is the InChIKey of 3-(Methylcarbamoyl)phenylboronic acid?

The InChIKey is FYFFPNFUVMBPRZ-UHFFFAOYSA-N.

What is the canonical SMILES of 3-(Methylcarbamoyl)phenylboronic acid?

The canonical SMILES is B(C1=CC(=CC=C1)C(=O)NC)(O)O.

What is the CAS number of 3-(Methylcarbamoyl)phenylboronic acid?

The CAS number is 832695-88-2.

What is the European Community (EC) number of 3-(Methylcarbamoyl)phenylboronic acid?

The European Community (EC) number is 800-535-7.

Is 3-(Methylcarbamoyl)phenylboronic acid a canonicalized compound?

Yes, 3-(Methylcarbamoyl)phenylboronic acid is a canonicalized compound.