Home Other Building Blocks 2,3,5,6-Tetrafluorobenzoic acid

2,3,5,6-Tetrafluorobenzoic acid

CAS No.:
652-18-6
Catalog Number:
AG003FEP
Molecular Formula:
C7H2F4O2
Molecular Weight:
194.0832
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG003FEP
Chemical Name:
2,3,5,6-Tetrafluorobenzoic acid
CAS Number:
652-18-6
Molecular Formula:
C7H2F4O2
Molecular Weight:
194.0832
MDL Number:
MFCD00002408
IUPAC Name:
2,3,5,6-tetrafluorobenzoic acid
InChI:
InChI=1S/C7H2F4O2/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1H,(H,12,13)
InChI Key:
KVLBXIOFJUWSJQ-UHFFFAOYSA-N
SMILES:
Fc1cc(F)c(c(c1F)C(=O)O)F
EC Number:
416-800-1
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.999g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.085g/mol
Monoisotopic Mass:
193.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
The effects of oral treatment with transfluthrin on the urothelium of rats and its metabolite, tetrafluorobenzoic acid on urothelial cells in vitro. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20110601
Stepwise neutral-ionic phase transitions in a covalently bonded donor/acceptor chain compound. Journal of the American Chemical Society 20110413
Tuning of the ionization potential of paddlewheel diruthenium(II, II) complexes with fluorine atoms on the benzoate ligands. Dalton transactions (Cambridge, England : 2003) 20110121
Optimized synthesis of tetrafluoroterephthalic acid: a versatile linking ligand for the construction of new coordination polymers and metal-organic frameworks. Inorganic chemistry 20101018
Carbonic anhydrase inhibitors. Inhibition of the beta-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with aliphatic and aromatic carboxylates. Bioorganic & medicinal chemistry 20090401
Properties