Home Nitros Pentafluoronitrobenzene

Pentafluoronitrobenzene

CAS No.:
880-78-4
Catalog Number:
AG003TLF
Molecular Formula:
C6F5NO2
Molecular Weight:
213.0617
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$44
- +
5g
95%
In Stock USA
United States
$113
- +
Product Description
Catalog Number:
AG003TLF
Chemical Name:
Pentafluoronitrobenzene
CAS Number:
880-78-4
Molecular Formula:
C6F5NO2
Molecular Weight:
213.0617
MDL Number:
MFCD00007049
IUPAC Name:
1,2,3,4,5-pentafluoro-6-nitrobenzene
InChI:
InChI=1S/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
InChI Key:
INUOFQAJCYUOJR-UHFFFAOYSA-N
SMILES:
Fc1c(F)c([N+](=O)[O-])c(c(c1F)F)F
EC Number:
212-915-4
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.985g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.063g/mol
Monoisotopic Mass:
212.985g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Electron capture by pentafluoronitrobenzene and pentafluorobenzonitrile. Physical chemistry chemical physics : PCCP 20080321
Properties