4519-39-5 | 2,3-Difluorobenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$15.00	$10.00
5g	97%	in stock	$16.00	$11.00
10g	97%	in stock	$26.00	$18.00
25g	97%	in stock	$38.00	$27.00
500g	97%	in stock	$727.00	$509.00

Description

• Catalog Number: AI50620
• Chemical Name: 2,3-Difluorobenzoic acid
• CAS Number: 4519-39-5
• Molecular Formula: C7H4F2O2
• Molecular Weight: 158.1023
• MDL Number: MFCD00010267
• SMILES: OC(=O)c1cccc(c1F)F

Computed Properties

• Complexity: 161
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.9

Literature

• Structural and spectroscopic characterization of 2,3-difluorobenzoic acid and 2,4-difluorobenzoic acid with experimental techniques and quantum chemical calculations.

  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901

• 2,3-Difluoro-benzoic acid.

  Acta crystallographica. Section E, Structure reports online 20080201

• Analysing fluorobenzoate tracers in groundwater samples using liquid chromatography-tandem mass spectrometry. A tool for leaching studies and hydrology.

  Journal of chromatography. A 20020524