3,4-Difluorophenylboronic acid

• CAS: 168267-41-2
• Catalog Number: ACM168267412
• Category: Boronic Acids
• Molecular Weight: 157.91g/mol
• Molecular Formula: C6H5BF2O2
• Synonyms: AKOS BRN-0090;3,4-FLUOROBENZENE BORONIC ACID;3,4-DIFLUOROPHENYLBORNIC ACID;3,4-DIFLUOROPHENYLBORONIC ACID;3,4-DIFLUOROBENZENEBORONIC ACID;RARECHEM AH PB 0169;3.4-Difloromethylboronic acid;3,4-Difluorophenylboric acid
• IUPAC Name: (3,4-difluorophenyl)boronic acid
• Canonical SMILES: B(C1=CC(=C(C=C1)F)F)(O)O
• InChI: InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
• InChI Key: RMGYQBHKEWWTOY-UHFFFAOYSA-N
• Complexity: 134
• Covalently-Bonded Unit Count: 1
• Exact Mass: 158.035066g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 158.035066g/mol
• Rotatable Bond Count: 1

Custom Q&A

What is the molecular weight of 3,4-Difluorophenylboronic acid?

The molecular weight of 3,4-Difluorophenylboronic acid is 157.91 g/mol.

What is the IUPAC name of 3,4-Difluorophenylboronic acid?

The IUPAC name of 3,4-Difluorophenylboronic acid is (3,4-difluorophenyl)boronic acid.

What is the InChI of 3,4-Difluorophenylboronic acid?

The InChI of 3,4-Difluorophenylboronic acid is InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H.

What is the InChIKey of 3,4-Difluorophenylboronic acid?

The InChIKey of 3,4-Difluorophenylboronic acid is RMGYQBHKEWWTOY-UHFFFAOYSA-N.

What is the canonical SMILES of 3,4-Difluorophenylboronic acid?

The canonical SMILES of 3,4-Difluorophenylboronic acid is B(C1=CC(=C(C=C1)F)F)(O)O.

What is the CAS number of 3,4-Difluorophenylboronic acid?

The CAS number of 3,4-Difluorophenylboronic acid is 168267-41-2.

What is the hydrogen bond donor count of 3,4-Difluorophenylboronic acid?

The hydrogen bond donor count of 3,4-Difluorophenylboronic acid is 2.

What is the hydrogen bond acceptor count of 3,4-Difluorophenylboronic acid?

The hydrogen bond acceptor count of 3,4-Difluorophenylboronic acid is 4.

What is the topological polar surface area of 3,4-Difluorophenylboronic acid?

The topological polar surface area of 3,4-Difluorophenylboronic acid is 40.5Ų.

Is 3,4-Difluorophenylboronic acid canonically represented?

Yes, 3,4-Difluorophenylboronic acid is canonically represented.