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88064-60-2 | 2,4,6-Triphenyl-1-({2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl}methyl)pyridin-1-ium tetrafluoroboranuide
CAS No: 88064-60-2 Catalog No: AG01EY5R MDL No:
Product Description
Catalog Number:
AG01EY5R
Chemical Name:
2,4,6-Triphenyl-1-({2,6,6-trimethylbicyclo[3.1.1]heptan-3-yl}methyl)pyridin-1-ium tetrafluoroboranuide
CAS Number:
88064-60-2
Molecular Formula:
C34H36BF4N
Molecular Weight:
545.4610
IUPAC Name:
2,4,6-triphenyl-1-[(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)methyl]pyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C34H36N.BF4/c1-24-29(19-30-22-31(24)34(30,2)3)23-35-32(26-15-9-5-10-16-26)20-28(25-13-7-4-8-14-25)21-33(35)27-17-11-6-12-18-27;2-1(3,4)5/h4-18,20-21,24,29-31H,19,22-23H2,1-3H3;/q+1;-1
InChI Key:
VYBGZWQEEVFCSC-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CC1C(CC2CC1C2(C)C)C[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
545.288g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
545.473g/mol
Monoisotopic Mass:
545.288g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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