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Home Nitros 3,4-Difluoronitrobenzene

3,4-Difluoronitrobenzene

CAS No.:
369-34-6
Catalog Number:
AG003IH4
Molecular Formula:
C6H3F2NO2
Molecular Weight:
159.0903
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$50
- +
Product Description
Catalog Number:
AG003IH4
Chemical Name:
3,4-Difluoronitrobenzene
CAS Number:
369-34-6
Molecular Formula:
C6H3F2NO2
Molecular Weight:
159.0903
MDL Number:
MFCD00007198
IUPAC Name:
1,2-difluoro-4-nitrobenzene
InChI:
InChI=1S/C6H3F2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H
InChI Key:
RUBQQRMAWLSCCJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)F)F
EC Number:
206-718-2
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.013g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.092g/mol
Monoisotopic Mass:
159.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
(1R*,5S*)-8-(2-Fluoro-4-nitro-phen-yl)-8-aza-bicyclo-[3.2.1]octan-3-one. Acta crystallographica. Section E, Structure reports online 20111201
A combined experimental and computational thermodynamic study of difluoronitrobenzene isomers. The journal of physical chemistry. B 20101014
Synthesis of heterocyclic compounds via nucleophilic aroylation catalyzed by imidazolidenyl carbene. Chemical & pharmaceutical bulletin 20061201
Properties