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Home > Fluorides > 147149-97-1
147149-97-1 | Pyridine, 4-nitro-2-(trifluoromethyl)-, 1-oxide
CAS No: 147149-97-1 Catalog No: AG001EO5 MDL No:
Product Description
Catalog Number:
AG001EO5
Chemical Name:
Pyridine, 4-nitro-2-(trifluoromethyl)-, 1-oxide
CAS Number:
147149-97-1
Molecular Formula:
C6H3F3N2O3
Molecular Weight:
208.0948
IUPAC Name:
4-nitro-1-oxido-2-(trifluoromethyl)pyridin-1-ium
InChI:
InChI=1S/C6H3F3N2O3/c7-6(8,9)5-3-4(11(13)14)1-2-10(5)12/h1-3H
InChI Key:
YAHZSCAQQRNLTM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc[n+](c(c1)C(F)(F)F)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.096g/mol
Monoisotopic Mass:
208.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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