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Home > Fluorides > 457051-95-5
457051-95-5 | 1-[1-(Benzoyloxy)-2-methyl-2-propen-1-yl]pyridinium tetrafluoroborate
CAS No: 457051-95-5 Catalog No: AG01EW23 MDL No:
Product Description
Catalog Number:
AG01EW23
Chemical Name:
1-[1-(Benzoyloxy)-2-methyl-2-propen-1-yl]pyridinium tetrafluoroborate
CAS Number:
457051-95-5
Molecular Formula:
C16H16BF4NO2
Molecular Weight:
341.1084
IUPAC Name:
(2-methyl-1-pyridin-1-ium-1-ylprop-2-enyl) benzoate;tetrafluoroborate
InChI:
InChI=1S/C16H16NO2.BF4/c1-13(2)15(17-11-7-4-8-12-17)19-16(18)14-9-5-3-6-10-14;2-1(3,4)5/h3-12,15H,1H2,2H3;/q+1;-1
InChI Key:
AANADKPIKNHTRZ-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CC(=C)C([n+]1ccccc1)OC(=O)c1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.113g/mol
Monoisotopic Mass:
341.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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