2-(Trifluoromethyl)phenylboronic acid

• Catalog Number: ACM1423274
• Product Name: 2-(Trifluoromethyl)phenylboronic acid
• CAS: 1423-27-4
• Category: Boronic Acids
• IUPAC Name: [2-(trifluoromethyl)phenyl]boronic acid
• Molecular Weight: 189.93g/mol
• Molecular Formula: C7H6BF3O2
• Canonical SMILES: B(C1=CC=CC=C1C(F)(F)F)(O)O
• InChI: InChI=1S/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H
• InChI Key: JNSBEPKGFVENFS-UHFFFAOYSA-N
• Complexity: 172
• Covalently-Bonded Unit Count: 1
• Exact Mass: 190.041294g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 190.041294g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular formula of 2-(Trifluoromethyl)phenylboronic acid?

The molecular formula of 2-(Trifluoromethyl)phenylboronic acid is C7H6BF3O2.

What is the molecular weight of 2-(Trifluoromethyl)phenylboronic acid?

The molecular weight of 2-(Trifluoromethyl)phenylboronic acid is 189.93 g/mol.

What is the IUPAC name of 2-(Trifluoromethyl)phenylboronic acid?

The IUPAC name of 2-(Trifluoromethyl)phenylboronic acid is [2-(trifluoromethyl)phenyl]boronic acid.

What is the InChI of 2-(Trifluoromethyl)phenylboronic acid?

The InChI of 2-(Trifluoromethyl)phenylboronic acid is InChI=1S/C7H6BF3O2/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4,12-13H.

What is the InChIKey of 2-(Trifluoromethyl)phenylboronic acid?

The InChIKey of 2-(Trifluoromethyl)phenylboronic acid is JNSBEPKGFVENFS-UHFFFAOYSA-N.

What is the canonical SMILES of 2-(Trifluoromethyl)phenylboronic acid?

The canonical SMILES of 2-(Trifluoromethyl)phenylboronic acid is B(C1=CC=CC=C1C(F)(F)F)(O)O.

What is the CAS number of 2-(Trifluoromethyl)phenylboronic acid?

The CAS number of 2-(Trifluoromethyl)phenylboronic acid is 1423-27-4.

What is the European Community (EC) number of 2-(Trifluoromethyl)phenylboronic acid?

The European Community (EC) number of 2-(Trifluoromethyl)phenylboronic acid is 640-203-7.

What is the ChEMBL ID of 2-(Trifluoromethyl)phenylboronic acid?

The ChEMBL ID of 2-(Trifluoromethyl)phenylboronic acid is CHEMBL349181.

Is 2-(Trifluoromethyl)phenylboronic acid a canonicalized compound?

Yes, 2-(Trifluoromethyl)phenylboronic acid is a canonicalized compound.