2,4-Difluorophenylboronic acid

• Catalog Number: ACM144025036
• Product Name: 2,4-Difluorophenylboronic acid
• CAS: 144025-03-6
• Category: Boronic Acids
• Synonyms: Boronic acid, B-(2,4-difluorophenyl)-
• IUPAC Name: (2,4-difluorophenyl)boronic acid
• Molecular Weight: 157.91
• Molecular Formula: C6H5BF2O2
• Canonical SMILES: B(C1=C(C=C(C=C1)F)F)(O)O
• InChI: InChI=1S/C6H5BF2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H
• InChI Key: QQLRSCZSKQTFGY-UHFFFAOYSA-N
• Boiling Point: 251.0±50.0 °C
• Melting Point: 247-250 °C (lit.)
• Density: 1.35±0.1 g/ml
• 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 formula of 2,4-Difluorophenylboronic acid?

The molecular formula is C6H5BF2O2.

What is the molecular weight of 2,4-Difluorophenylboronic acid?

The molecular weight is 157.91 g/mol.

What is the IUPAC name of 2,4-Difluorophenylboronic acid?

The IUPAC name is (2,4-difluorophenyl)boronic acid.

What is the InChI of 2,4-Difluorophenylboronic acid?

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

What is the InChIKey of 2,4-Difluorophenylboronic acid?

The InChIKey is QQLRSCZSKQTFGY-UHFFFAOYSA-N.

What is the canonical SMILES of 2,4-Difluorophenylboronic acid?

The canonical SMILES is B(C1=C(C=C(C=C1)F)F)(O)O.

What is the CAS number of 2,4-Difluorophenylboronic acid?

The CAS number is 144025-03-6.

How many hydrogen bond donor counts does 2,4-Difluorophenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 2,4-Difluorophenylboronic acid have?

It has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of 2,4-Difluorophenylboronic acid?

The topological polar surface area is 40.5Ų.