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82552-31-6 | Pyridinium, 1-(4-methoxyphenyl)-2,6-diphenyl-, perchlorate
CAS No: 82552-31-6 Catalog No: AG00575V MDL No:
Product Description
Catalog Number:
AG00575V
Chemical Name:
Pyridinium, 1-(4-methoxyphenyl)-2,6-diphenyl-, perchlorate
CAS Number:
82552-31-6
Molecular Formula:
C24H20ClNO5
Molecular Weight:
437.8723
IUPAC Name:
1-(4-methoxyphenyl)-2,6-diphenylpyridin-1-ium;perchlorate
InChI:
InChI=1S/C24H20NO.ClHO4/c1-26-22-17-15-21(16-18-22)25-23(19-9-4-2-5-10-19)13-8-14-24(25)20-11-6-3-7-12-20;2-1(3,4)5/h2-18H,1H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
BUVLPFSEJLFHRH-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COc1ccc(cc1)[n+]1c(cccc1c1ccccc1)c1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.103g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.876g/mol
Monoisotopic Mass:
437.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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