2-(Methoxycarbonyl)benzeneboronic acid, pinacol ester

• Catalog Number: ACM653589958
• Product Name: 2-(Methoxycarbonyl)benzeneboronic acid, pinacol ester
• CAS: 653589-95-8
• Category: Other
• Synonyms: BM224, 2-Methoxycarbonylphenylboronic acid pinacol ester, 653589-95-8
• IUPAC Name: methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• Molecular Weight: 262.11
• Molecular Formula: C₁₄H₁₉BO₄
• InChI Key: GWSGJWIUSIAFOP-UHFFFAOYSA-N
• Boiling Point: 363.7ºC at 760 mmHg
• Melting Point: 49-51ºC
• Flash Point: 173.8ºC
• Density: 1.08g/cm³
• Exact Mass: 262.13800
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C14H19BO4.

What is the molecular weight of the compound?

The molecular weight of the compound is 262.11 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is methyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-9-7-6-8-10(11)12(16)17-5/h6-9H,1-5H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2C(=O)OC.

What is the CAS number of the compound?

The CAS number of the compound is 653589-95-8.

What is the European Community (EC) number of the compound?

The European Community (EC) number of the compound is 675-007-0.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID30375011.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 44.8Ų.