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1201-31-6 | Benzoic acid, 2,3,4,5-tetrafluoro-
CAS No: 1201-31-6 Catalog No: AG000QB3 MDL No:MFCD00009613
Product Description
Catalog Number:
AG000QB3
Chemical Name:
Benzoic acid, 2,3,4,5-tetrafluoro-
CAS Number:
1201-31-6
Molecular Formula:
C7H2F4O2
Molecular Weight:
194.0832
MDL Number:
MFCD00009613
IUPAC Name:
2,3,4,5-tetrafluorobenzoic acid
InChI:
InChI=1S/C7H2F4O2/c8-3-1-2(7(12)13)4(9)6(11)5(3)10/h1H,(H,12,13)
InChI Key:
SFKRXQKJTIYUAG-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(c(c1F)F)F
NSC Number:
168728
Properties
Complexity:
211
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:
1.8
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 |
| 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 |
| 2,3,4,5-Tetra-fluoro-benzoic acid-4,4'-bipyridine (2/1). | Acta crystallographica. Section E, Structure reports online 20090801 |
| Novel ofloxacin derivatives: synthesis, antimycobacterial and toxicological evaluation. | Bioorganic & medicinal chemistry letters 20080201 |
| Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates. | Bioorganic & medicinal chemistry letters 20050201 |
| Analysing fluorobenzoate tracers in groundwater samples using liquid chromatography-tandem mass spectrometry. A tool for leaching studies and hydrology. | Journal of chromatography. A 20020524 |
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