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80575-97-9 | 2-(Ethoxycarbonyl)-1,4,6-triphenylpyridinium tetrafluoroborate
CAS No: 80575-97-9 Catalog No: AG01EXHN MDL No:
Product Description
Catalog Number:
AG01EXHN
Chemical Name:
2-(Ethoxycarbonyl)-1,4,6-triphenylpyridinium tetrafluoroborate
CAS Number:
80575-97-9
Molecular Formula:
C26H22BF4NO2
Molecular Weight:
467.2630
IUPAC Name:
ethyl 1,4,6-triphenylpyridin-1-ium-2-carboxylate;tetrafluoroborate
InChI:
InChI=1S/C26H22NO2.BF4/c1-2-29-26(28)25-19-22(20-12-6-3-7-13-20)18-24(21-14-8-4-9-15-21)27(25)23-16-10-5-11-17-23;2-1(3,4)5/h3-19H,2H2,1H3;/q+1;-1
InChI Key:
WHUCJLHJYIHLMZ-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCOC(=O)c1cc(cc([n+]1c1ccccc1)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:
467.168g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.271g/mol
Monoisotopic Mass:
467.168g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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