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Home Other Building Blocks 2-(4-Fluorobenzoyl)benzoic acid

2-(4-Fluorobenzoyl)benzoic acid

CAS No.:
7649-92-5
Catalog Number:
AG003EW3
Molecular Formula:
C14H9FO3
Molecular Weight:
244.2179
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$37
- +
250mg
95%
In Stock USA
United States
$70
- +
1g
97%
In Stock USA
United States
$137
- +
5g
97%
In Stock USA
United States
$264
- +
25g
97%
In Stock USA
United States
$633
- +
Product Description
Catalog Number:
AG003EW3
Chemical Name:
2-(4-Fluorobenzoyl)benzoic acid
CAS Number:
7649-92-5
Molecular Formula:
C14H9FO3
Molecular Weight:
244.2179
MDL Number:
MFCD00185874
IUPAC Name:
2-(4-fluorobenzoyl)benzoic acid
InChI:
InChI=1S/C14H9FO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
InChI Key:
FJAZVXUPZQSZKI-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1ccccc1C(=O)O
EC Number:
231-604-4
NSC Number:
111165
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.054g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.221g/mol
Monoisotopic Mass:
244.054g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Studies on synthetic and structural characterization of new fluorine substituted phthalides of pharmaceutical interest. Journal of enzyme inhibition and medicinal chemistry 20121001
[Study on synthesis, structure characterization and fluorescence of europium complexes of 2-(4-fluorobenzoyl) benzoic acid]. Guang pu xue yu guang pu fen xi = Guang pu 20090101
Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. Journal of medicinal chemistry 20040506
Properties