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1537-40-2 | 1-(2-Hydroxyethyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroboranuide
CAS No: 1537-40-2 Catalog No: AG01EU8V MDL No:
Product Description
Catalog Number:
AG01EU8V
Chemical Name:
1-(2-Hydroxyethyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroboranuide
CAS Number:
1537-40-2
Molecular Formula:
C25H22BF4NO
Molecular Weight:
439.2529
IUPAC Name:
2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethanol;tetrafluoroborate
InChI:
InChI=1S/C25H22NO.BF4/c27-17-16-26-24(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-25(26)22-14-8-3-9-15-22;2-1(3,4)5/h1-15,18-19,27H,16-17H2;/q+1;-1
InChI Key:
HEOPNSIFGMFMFV-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.OCC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.173g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
439.261g/mol
Monoisotopic Mass:
439.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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