4-Aminocarbonylphenylboronic acid, pinacol ester

• CAS: 179117-44-3
• Catalog Number: ACM179117443
• Category: Boronic Esters
• Molecular Weight: 247.1
• Molecular Formula: C₁₃H₁₈BNO₃
• Synonyms: BM203, 4-Aminocarbonylphenylboronic acid pinacol ester, 179117-44-3
• IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N
• InChI Key: NWEMAGLLVQDEKL-UHFFFAOYSA-N
• Boiling Point: 388.2ºC at 760mmHg
• Flash Point: 188.6ºC
• Density: 1.11g/cm³
• Exact Mass: 247.13800
• H-Bond Acceptor: 3
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of 4-Aminocarbonylphenylboronic acid, pinacol ester?

The molecular formula is C13H18BNO3.

What is the molecular weight of 4-Aminocarbonylphenylboronic acid, pinacol ester?

The molecular weight is 247.10 g/mol.

What is the IUPAC name of 4-Aminocarbonylphenylboronic acid, pinacol ester?

The IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

What is the InChI of 4-Aminocarbonylphenylboronic acid, pinacol ester?

The InChI is InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-9(6-8-10)11(15)16/h5-8H,1-4H3,(H2,15,16).

What is the InChIKey of 4-Aminocarbonylphenylboronic acid, pinacol ester?

The InChIKey is NWEMAGLLVQDEKL-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Aminocarbonylphenylboronic acid, pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N.

What is the CAS number of 4-Aminocarbonylphenylboronic acid, pinacol ester?

The CAS number is 179117-44-3.

What is the European Community (EC) number of 4-Aminocarbonylphenylboronic acid, pinacol ester?

The European Community (EC) number is 675-000-2.

What is the DSSTox Substance ID of 4-Aminocarbonylphenylboronic acid, pinacol ester?

The DSSTox Substance ID is DTXSID20375242.

Is 4-Aminocarbonylphenylboronic acid, pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.