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81128-05-4 | 1-(2,2-Dimethylpropyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroboranuide
CAS No: 81128-05-4 Catalog No: AG01EXHZ MDL No:
Product Description
Catalog Number:
AG01EXHZ
Chemical Name:
1-(2,2-Dimethylpropyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroboranuide
CAS Number:
81128-05-4
Molecular Formula:
C28H28BF4N
Molecular Weight:
465.3332
IUPAC Name:
1-(2,2-dimethylpropyl)-2,4,6-triphenylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C28H28N.BF4/c1-28(2,3)21-29-26(23-15-9-5-10-16-23)19-25(22-13-7-4-8-14-22)20-27(29)24-17-11-6-12-18-24;2-1(3,4)5/h4-20H,21H2,1-3H3;/q+1;-1
InChI Key:
QHJCUZRGMZCURF-UHFFFAOYSA-N
SMILES:
CC(C[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)(C)C.F[B-](F)(F)F
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.225g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.343g/mol
Monoisotopic Mass:
465.225g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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