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13958-88-8 | Pyridine, 3-fluoro-5-methyl-4-nitro-, 1-oxide
CAS No: 13958-88-8 Catalog No: AG001BB0 MDL No:MFCD06659512
Product Description
Catalog Number:
AG001BB0
Chemical Name:
Pyridine, 3-fluoro-5-methyl-4-nitro-, 1-oxide
CAS Number:
13958-88-8
Molecular Formula:
C6H5FN2O3
Molecular Weight:
172.1139
MDL Number:
MFCD06659512
IUPAC Name:
3-fluoro-5-methyl-4-nitro-1-oxidopyridin-1-ium
InChI:
InChI=1S/C6H5FN2O3/c1-4-2-8(10)3-5(7)6(4)9(11)12/h2-3H,1H3
InChI Key:
ZQGANXDYXDMUFR-UHFFFAOYSA-N
SMILES:
[O-][n+]1cc(C)c(c(c1)F)[N+](=O)[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
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