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75505-87-2 | 1-(Butan-2-yl)-2,4,6-triphenylpyridin-1-ium tetrafluoroboranuide
CAS No: 75505-87-2 Catalog No: AG01EXAN MDL No:
Product Description
Catalog Number:
AG01EXAN
Chemical Name:
1-(Butan-2-yl)-2,4,6-triphenylpyridin-1-ium tetrafluoroboranuide
CAS Number:
75505-87-2
Molecular Formula:
C27H26BF4N
Molecular Weight:
451.3067
IUPAC Name:
1-butan-2-yl-2,4,6-triphenylpyridin-1-ium;tetrafluoroborate
InChI:
InChI=1S/C27H26N.BF4/c1-3-21(2)28-26(23-15-9-5-10-16-23)19-25(22-13-7-4-8-14-22)20-27(28)24-17-11-6-12-18-24;2-1(3,4)5/h4-21H,3H2,1-2H3;/q+1;-1
InChI Key:
BWYVHUMBTDWPOD-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCC([n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)C
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.209g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
451.316g/mol
Monoisotopic Mass:
451.209g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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