3-Aminocarbonylphenylboronic acid

• CAS: 351422-73-6
• Catalog Number: ACM351422736
• Category: Boro-Amino Acids
• Molecular Weight: 164.96g/mol
• Molecular Formula: C7H8BNO3
• Synonyms: BENZAMIDE-3-BORONIC ACID;3-CARBAMOYLPHENYLBORONIC ACID;3-CARBAMOYLPHENYLBORONIC ACID, 3-BORONOBENZAMIDE;3-CARBOXAMIDEPHENYLBORONIC ACID;3-(AMINOCARBONYL)BENZENEBORONIC ACID;3-AMINOCARBONYLPHENYLBORONIC ACID;3-AMINOCARBONYLPENYLBORONIC ACID;3-Aminocarbonyi
• IUPAC Name: (3-carbamoylphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)N)(O)O
• InChI: InChI=1S/C7H8BNO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H2,9,10)
• InChI Key: WDGWHKRJEBENCE-UHFFFAOYSA-N
• Complexity: 174
• Covalently-Bonded Unit Count: 1
• Exact Mass: 165.059723g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Heavy Atom Count: 12
• Monoisotopic Mass: 165.059723g/mol
• Rotatable Bond Count: 2

Custom Q&A

What is the molecular formula of 3-Aminocarbonylphenylboronic acid?

The molecular formula is C7H8BNO3.

What is the molecular weight of 3-Aminocarbonylphenylboronic acid?

The molecular weight is 164.96 g/mol.

What is the IUPAC name of 3-Aminocarbonylphenylboronic acid?

The IUPAC name is (3-carbamoylphenyl)boronic acid.

What is the InChI of 3-Aminocarbonylphenylboronic acid?

The InChI is InChI=1S/C7H8BNO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,11-12H,(H2,9,10).

What is the InChIKey of 3-Aminocarbonylphenylboronic acid?

The InChIKey is WDGWHKRJEBENCE-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Aminocarbonylphenylboronic acid?

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

What is the CAS number of 3-Aminocarbonylphenylboronic acid?

The CAS number is 351422-73-6.

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

The European Community (EC) number is 626-786-0.

What is the DSSTox Substance ID of 3-Aminocarbonylphenylboronic acid?

The DSSTox Substance ID is DTXSID90372263.

Is 3-Aminocarbonylphenylboronic acid canonicalized?

Yes, the compound is canonicalized.