2358-29-4 | 2,3,6-Trifluorobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$6.00	$5.00
10g	98%	in stock	$25.00	$18.00
25g	98%	in stock	$59.00	$42.00
100g	98%	in stock	$232.00	$163.00

Description

• Catalog Number: AB23901
• Chemical Name: 2,3,6-Trifluorobenzoic acid
• CAS Number: 2358-29-4
• Molecular Formula: C7H3F3O2
• Molecular Weight: 176.0927
• MDL Number: MFCD00002409
• SMILES: Fc1ccc(c(c1F)C(=O)O)F

Computed Properties

• Complexity: 186
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.7

Literature

• Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands.

  Dalton transactions (Cambridge, England : 2003) 20110121

• FTIR and Raman spectra and optimized geometry of 2,3,6-tri-fluorobenzoic acid dimer: a DFT and SQMFF study.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20101101