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97419-18-6 | 1-(2,6-Dimethyl-4-oxo-1(4H)-pyridinyl)pyridinium tetrafluoroborate
CAS No: 97419-18-6 Catalog No: AG01F089 MDL No:
Product Description
Catalog Number:
AG01F089
Chemical Name:
1-(2,6-Dimethyl-4-oxo-1(4H)-pyridinyl)pyridinium tetrafluoroborate
CAS Number:
97419-18-6
Molecular Formula:
C12H13BF4N2O
Molecular Weight:
288.0490
IUPAC Name:
2,6-dimethyl-1-pyridin-1-ium-1-ylpyridin-4-one;tetrafluoroborate
InChI:
InChI=1S/C12H13N2O.BF4/c1-10-8-12(15)9-11(2)14(10)13-6-4-3-5-7-13;2-1(3,4)5/h3-9H,1-2H3;/q+1;-1
InChI Key:
NCNCFKHLPONPQT-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.O=c1cc(C)n(c(c1)C)[n+]1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.053g/mol
Monoisotopic Mass:
288.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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