Home Nitros 3-Fluoro-4-nitrophenol

3-Fluoro-4-nitrophenol

CAS No.:
394-41-2
Catalog Number:
AG00BXD2
Molecular Formula:
C6H4FNO3
Molecular Weight:
157.0993
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$119
- +
100g
98%(GC)
In Stock USA
United States
$428
- +
500g
98%(GC)
In Stock USA
United States
$1835
- +
Product Description
Catalog Number:
AG00BXD2
Chemical Name:
3-Fluoro-4-nitrophenol
CAS Number:
394-41-2
Molecular Formula:
C6H4FNO3
Molecular Weight:
157.0993
MDL Number:
MFCD00041251
IUPAC Name:
3-fluoro-4-nitrophenol
InChI:
InChI=1S/C6H4FNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H
InChI Key:
CSSGKHVRDGATJL-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)F)[N+](=O)[O-]
EC Number:
206-895-6
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.018g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.1g/mol
Monoisotopic Mass:
157.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
3-Fluoro-4-nitro-phenyl 4-methyl-benzene-sulfonate. Acta crystallographica. Section E, Structure reports online 20110401
Effect of imidazole and phenolate axial ligands on the electronic structure and reactivity of oxoiron(IV) porphyrin pi-cation radical complexes: drastic increase in oxo-transfer and hydrogen abstraction reactivities. Inorganic chemistry 20090316
Testing electrostatic complementarity in enzyme catalysis: hydrogen bonding in the ketosteroid isomerase oxyanion hole. PLoS biology 20060401
An NMR-based metabonomic approach to the investigation of coelomic fluid biochemistry in earthworms under toxic stress. FEBS letters 20010629
Properties