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Home Nitros 1-Fluoro-3-nitrobenzene

1-Fluoro-3-nitrobenzene

CAS No.:
402-67-5
Catalog Number:
AG003EC0
Molecular Formula:
C6H4FNO2
Molecular Weight:
141.0999
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG003EC0
Chemical Name:
1-Fluoro-3-nitrobenzene
CAS Number:
402-67-5
Molecular Formula:
C6H4FNO2
Molecular Weight:
141.0999
MDL Number:
MFCD00007196
IUPAC Name:
1-fluoro-3-nitrobenzene
InChI:
InChI=1S/C6H4FNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
InChI Key:
WMASLRCNNKMRFP-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)[N+](=O)[O-]
EC Number:
206-953-0
NSC Number:
60651
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.101g/mol
Monoisotopic Mass:
141.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Spectroscopic analysis (FT-IR/FT-Raman) and molecular structure investigation on m-fluoronitrobenzene using hybrid computational calculations. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120801
Comment on: 'Comparative vibrational analysis of 1,2-dinitrobenzene and 1-fluoro-3-nitrobenzene' by S Ramalingam, S. Periandy et al. [Spectrochim. Acta A 84 (2011) 86-98]. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601
Comparative vibrational analysis of 1,2-Dinitro benzene and 1-Fluoro-3-nitro benzene: a combined experimental (FT-IR and FT-Raman) and theoretical study (DFT/B3LYP/B3PW91). Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111215
Imaging beta-galactosidase activity in human tumor xenografts and transgenic mice using a chemiluminescent substrate. PloS one 20100101
Synthesis and antimycobacterial evaluation of certain fluoroquinolone derivatives. Bioorganic & medicinal chemistry 20050602
Properties