2-(Trifluoromethoxy)phenylboronic acid pinacol ester

• CAS: 832114-04-2
• Catalog Number: ACM832114042
• Category: Other
• Molecular Weight: 288.07
• Molecular Formula: C₁₃H₁₆BF₃O₃
• Synonyms: BM282, 2-(Trifluoromethoxy)phenylboronic acid pinacol ester, 832114-04-2
• IUPAC Name: 4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2OC(F)(F)F
• InChI Key: MJVAGGBGGPTBIJ-UHFFFAOYSA-N
• Boiling Point: 300ºC at 760 mmHg
• Flash Point: 135.2ºC
• Density: 1.18g/cm³
• Exact Mass: 288.11400
• H-Bond Acceptor: 6
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 2-(Trifluoromethoxy)phenylboronic acid pinacol ester?

The molecular formula is C13H16BF3O3.

When was this compound created and last modified?

It was created on July 19, 2005, and last modified on December 2, 2023.

What is the IUPAC name of 2-(Trifluoromethoxy)phenylboronic acid pinacol ester?

The IUPAC name is 4,4,5,5-tetramethyl-2-[2-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane.

What is the InChI of this compound?

The InChI is InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-7-5-6-8-10(9)18-13(15,16)17/h5-8H,1-4H3.

How many hydrogen bond acceptor counts does this compound have?

It has 6 hydrogen bond acceptor counts.

What is the exact mass of 2-(Trifluoromethoxy)phenylboronic acid pinacol ester?

The exact mass is 288.1144590 g/mol.

What is the topological polar surface area of this compound?

The topological polar surface area is 27.7Ų.

How many heavy atoms are present in 2-(Trifluoromethoxy)phenylboronic acid pinacol ester?

There are 20 heavy atoms in this compound.

Does this compound have any defined atom or bond stereocenters?

No, this compound does not have any defined atom or bond stereocenters.

Is the compound canonicalized?

Yes, the compound is canonicalized.