Home Nitros 4-Fluoro-3-nitrobenzoic acid

4-Fluoro-3-nitrobenzoic acid

CAS No.:
453-71-4
Catalog Number:
AG003416
Molecular Formula:
C7H4FNO4
Molecular Weight:
185.1094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$38
- +
100g
≥98%
In Stock USA
United States
$108
- +
500g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG003416
Chemical Name:
4-Fluoro-3-nitrobenzoic acid
CAS Number:
453-71-4
Molecular Formula:
C7H4FNO4
Molecular Weight:
185.1094
MDL Number:
MFCD00007058
IUPAC Name:
4-fluoro-3-nitrobenzoic acid
InChI:
InChI=1S/C7H4FNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:
BOJWTAQWPVBIPG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1F)C(=O)O
EC Number:
207-221-3
NSC Number:
10311
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.012g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.11g/mol
Monoisotopic Mass:
185.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Straightforward synthesis of novel 1-(2'-α-O-D-glucopyranosyl ethyl) 2-arylbenzimidazoles. Molecules (Basel, Switzerland) 20120817
Design and synthesis of new biprivileged molecular scaffolds: indolo-fused benzodiazepinyl/quinoxalinyl benzimidazoles. Chemistry, an Asian journal 20120601
Divergent synthesis of unsymmetrical annulated biheterocyclic compound libraries: benzimidazole linked indolo-benzodiazepines/quinoxaline. ACS combinatorial science 20110711
Regioselective, unconventional Pictet-Spengler cyclization strategy toward the synthesis of benzimidazole-linked imidazoquinoxalines on a soluble polymer support. Chemistry, an Asian journal 20110606
Ethyl 4-fluoro-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20090301
Ethyl 4-(tert-butyl-amino)-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20080801
Combinatorial synthesis of biheterocyclic benzimidazoles by microwave irradiation. Combinatorial chemistry & high throughput screening 20040501
Novel approaches for the solid-phase synthesis of biheterocyclic dihydroimidazole analogues. Journal of combinatorial chemistry 20020101
Parallel solid-phase synthesis of trisubstituted triazinobenzimidazolediones. Journal of combinatorial chemistry 20020101
Properties