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56474-28-3 | 1-(2,6-Dimethyl-4-oxo-1(4H)-pyridinyl)-3-methylpyridinium tetrafluoroborate
CAS No: 56474-28-3 Catalog No: AG01EWH2 MDL No:
Product Description
Catalog Number:
AG01EWH2
Chemical Name:
1-(2,6-Dimethyl-4-oxo-1(4H)-pyridinyl)-3-methylpyridinium tetrafluoroborate
CAS Number:
56474-28-3
Molecular Formula:
C13H15BF4N2O
Molecular Weight:
302.0756
IUPAC Name:
2,6-dimethyl-1-(3-methylpyridin-1-ium-1-yl)pyridin-4-one;tetrafluoroborate
InChI:
InChI=1S/C13H15N2O.BF4/c1-10-5-4-6-14(9-10)15-11(2)7-13(16)8-12(15)3;2-1(3,4)5/h4-9H,1-3H3;/q+1;-1
InChI Key:
UJRJYBHLSYVEMM-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.O=c1cc(C)n(c(c1)C)[n+]1cccc(c1)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.08g/mol
Monoisotopic Mass:
302.121g/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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