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Home > Fluorides > 147541-08-0
147541-08-0 | Pyridinium, 1-fluoro-2-sulfo-5-(trifluoromethyl)-, inner salt
CAS No: 147541-08-0 Catalog No: AG001EZ2 MDL No:MFCD00236129
Product Description
Catalog Number:
AG001EZ2
Chemical Name:
Pyridinium, 1-fluoro-2-sulfo-5-(trifluoromethyl)-, inner salt
CAS Number:
147541-08-0
Molecular Formula:
C6H3F4NO3S
Molecular Weight:
245.1515
MDL Number:
MFCD00236129
IUPAC Name:
1-fluoro-5-(trifluoromethyl)pyridin-1-ium-2-sulfonate
InChI:
InChI=1S/C6H3F4NO3S/c7-6(8,9)4-1-2-5(11(10)3-4)15(12,13)14/h1-3H
InChI Key:
MEYCMYZKEHOPIF-UHFFFAOYSA-N
SMILES:
F[n+]1cc(ccc1S(=O)(=O)[O-])C(F)(F)F
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.148g/mol
Monoisotopic Mass:
244.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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