4-Methoxyphenylboronic acid, pinacol ester

• CAS: 171364-79-7
• Catalog Number: ACM171364797
• Category: Boronic Esters
• Molecular Weight: 234.1
• Molecular Formula: C₁₃H₁₉BO₃
• Synonyms: BM177, CID584319, 4-Methoxyphenylboronic acid pinacol ester, 2-(4-Methoxyphenyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolane, 171364-79-7
• IUPAC Name: 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC
• InChI Key: VFIKPDSQDNROGM-UHFFFAOYSA-N
• Boiling Point: 321.1ºC at 760 mmHg
• Flash Point: 148ºC
• Density: 1.02g/cm³
• Exact Mass: 234.14300
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

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

The molecular formula is C13H19BO3.

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

The molecular weight is 234.10 g/mol.

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

The IUPAC name is 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

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

The InChI is InChI=1S/C13H19BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6-9H,1-5H3.

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

The InChIKey is VFIKPDSQDNROGM-UHFFFAOYSA-N.

What is the Canonical SMILES of 4-Methoxyphenylboronic acid, pinacol ester?

The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OC.

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

The CAS number is 171364-79-7.

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

The European Community (EC) number is 801-556-4.

What is the ChEMBL ID of 4-Methoxyphenylboronic acid, pinacol ester?

The ChEMBL ID is CHEMBL5193023.

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

Yes, it is canonicalized.