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87803-37-0 | 1-Ethenyl-4-phenyl-2,6-bis(propan-2-yl)pyridin-1-ium tetrafluoroboranuide
CAS No: 87803-37-0 Catalog No: AG01EY3Y MDL No:MFCD00959259
Product Description
Catalog Number:
AG01EY3Y
Chemical Name:
1-Ethenyl-4-phenyl-2,6-bis(propan-2-yl)pyridin-1-ium tetrafluoroboranuide
CAS Number:
87803-37-0
Molecular Formula:
C19H24BF4N
Molecular Weight:
353.2052
MDL Number:
MFCD00959259
IUPAC Name:
1-ethenyl-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C19H24N.BF4/c1-6-20-18(14(2)3)12-17(13-19(20)15(4)5)16-10-8-7-9-11-16;2-1(3,4)5/h6-15H,1H2,2-5H3;/q+1;-1
InChI Key:
JUKLUMZCJKRPGS-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.C=C[n+]1c(cc(cc1C(C)C)c1ccccc1)C(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.194g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.212g/mol
Monoisotopic Mass:
353.194g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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