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Home Nitros 3,5-Difluoronitrobenzene

3,5-Difluoronitrobenzene

CAS No.:
2265-94-3
Catalog Number:
AG007O29
Molecular Formula:
C6H3F2NO2
Molecular Weight:
159.0903
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$50
- +
25g
95%
In Stock USA
United States
$150
- +
100g
95%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG007O29
Chemical Name:
3,5-Difluoronitrobenzene
CAS Number:
2265-94-3
Molecular Formula:
C6H3F2NO2
Molecular Weight:
159.0903
MDL Number:
MFCD00012142
IUPAC Name:
1,3-difluoro-5-nitrobenzene
InChI:
InChI=1S/C6H3F2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H
InChI Key:
AUQBBDWDLJSKMI-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)F)[N+](=O)[O-]
EC Number:
218-867-0
NSC Number:
10260
Properties
Complexity:
149  
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
Molecular structure, conformation, and potential to internal rotation of 2,6- and 3,5-difluoronitrobenzene studied by gas-phase electron diffraction and quantum chemical calculations. The journal of physical chemistry. A 20080605
Properties