4-(Methoxycarbonyl)benzeneboronic acid pinacol ester

• CAS: 171364-80-0
• Catalog Number: ACM171364800
• Category: Boronic Esters
• Molecular Weight: 262.11g/mol
• Molecular Formula: C14H19BO4
• Synonyms: 4-METHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER;4-METHOXYCARBONYLPHENYLBORONIC ACID PINACOLATE;4-carbomethoxyphenylboronic acid pinacol ester;4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)BENZOIC ACID METHYL ESTER;2-(4-CARBOMETHOXYPHENYL)-4,4,5,5-TET
• IUPAC Name: methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)OC
• InChI: InChI=1S/C14H19BO4/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(16)17-5/h6-9H,1-5H3
• InChI Key: REIZEQZILPXYKS-UHFFFAOYSA-N
• Complexity: 329
• Covalently-Bonded Unit Count: 1
• Exact Mass: 262.137639g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 19
• Monoisotopic Mass: 262.137639g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of the compound mentioned in the reference?

The molecular formula is C14H19BO4.

What are some synonyms for the compound?

Some synonyms include Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate and 4-Methoxycarbonylphenylboronic acid pinacol ester.

What is the molecular weight of the compound?

The molecular weight is 262.11 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name is methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate.

What is the InChIKey of the compound?

The InChIKey is REIZEQZILPXYKS-UHFFFAOYSA-N.

How many hydrogen bond acceptors does the compound have?

The compound has 4 hydrogen bond acceptors.

What is the exact mass of the compound?

The exact mass is 262.1376392 g/mol.

How many rotatable bonds does the compound have?

The compound has 3 rotatable bonds.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the topological polar surface area of the compound?

The topological polar surface area is 44.8 Ų.