3,5-Difluorophenylboronic acid

• Catalog Number: ACM156545072
• Product Name: 3,5-Difluorophenylboronic acid
• CAS: 156545-07-2
• Category: Boronic Acids
• Synonyms: Boronic acid, (3,5-difluorophenyl)- (9CI)
• IUPAC Name: (3,5-difluorophenyl)boronic acid
• Molecular Weight: 157.9111
• Molecular Formula: C6H5BF2O2
• Canonical SMILES: B(C1=CC(=CC(=C1)F)F)(O)O
• InChI: InChI=1S/C6H5BF2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,10-11H
• InChI Key: QWQBQRYFWNIDOC-UHFFFAOYSA-N
• Boiling Point: 266.9±50.0 °C
• Melting Point: 210-217 °C
• Density: 1.35±0.1 g/ml
• Appearance: Powder
• Complexity: 124
• 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
• MDL Number: MFCD01318138
• Monoisotopic Mass: 158.035066g/mol
• Rotatable Bond Count: 1
• Size: 5g,25g,100g

Custom Q&A

What is the molecular formula of 3,5-Difluorophenylboronic acid?

The molecular formula is C6H5BF2O2.

What is the molecular weight of 3,5-Difluorophenylboronic acid?

The molecular weight is 157.91 g/mol.

When was 3,5-Difluorophenylboronic acid created in PubChem?

It was created on July 19, 2005.

What is the IUPAC name of 3,5-Difluorophenylboronic acid?

The IUPAC name is (3,5-difluorophenyl)boronic acid.

What is the InChI of 3,5-Difluorophenylboronic acid?

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

What is the InChIKey of 3,5-Difluorophenylboronic acid?

The InChIKey is QWQBQRYFWNIDOC-UHFFFAOYSA-N.

What is the canonical SMILES of 3,5-Difluorophenylboronic acid?

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

What is the CAS number of 3,5-Difluorophenylboronic acid?

The CAS number is 156545-07-2.

What is the hydrogen bond donor count of 3,5-Difluorophenylboronic acid?

The hydrogen bond donor count is 2.

Is 3,5-Difluorophenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.