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83766-16-9 | 1-(3-Ethoxy-3-oxopropyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroboranuide
CAS No: 83766-16-9 Catalog No: AG01EXLT MDL No:
Product Description
Catalog Number:
AG01EXLT
Chemical Name:
1-(3-Ethoxy-3-oxopropyl)-2,4,6-triphenylpyridin-1-ium tetrafluoroboranuide
CAS Number:
83766-16-9
Molecular Formula:
C28H26BF4NO2
Molecular Weight:
495.3162
IUPAC Name:
ethyl 3-(2,4,6-triphenylpyridin-1-ium-1-yl)propanoate;tetrafluoroborate
InChI:
InChI=1S/C28H26NO2.BF4/c1-2-31-28(30)18-19-29-26(23-14-8-4-9-15-23)20-25(22-12-6-3-7-13-22)21-27(29)24-16-10-5-11-17-24;2-1(3,4)5/h3-17,20-21H,2,18-19H2,1H3;/q+1;-1
InChI Key:
NTVRQAJYPNNGLY-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCOC(=O)CC[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.199g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
495.325g/mol
Monoisotopic Mass:
495.199g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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