Home Nitros 5-Fluoro-2-methyl-4-nitropyridine 1-Oxide

5-Fluoro-2-methyl-4-nitropyridine 1-Oxide

CAS No.:
113209-88-4
Catalog Number:
AG003MR0
Molecular Formula:
C6H5FN2O3
Molecular Weight:
172.1139
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Product Description
Catalog Number:
AG003MR0
Chemical Name:
5-Fluoro-2-methyl-4-nitropyridine 1-Oxide
CAS Number:
113209-88-4
Molecular Formula:
C6H5FN2O3
Molecular Weight:
172.1139
MDL Number:
MFCD12828024
IUPAC Name:
5-fluoro-2-methyl-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H5FN2O3/c1-4-2-6(9(11)12)5(7)3-8(4)10/h2-3H,1H3
InChI Key:
BWNXTHJYONDSFG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)[n+](cc1F)[O-]
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.028g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.115g/mol
Monoisotopic Mass:
172.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties