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61655-18-3 | 2,4,6-Triphenyl-1-(pyridin-4-ylmethyl)pyridin-1-ium perchlorate
CAS No: 61655-18-3 Catalog No: AG01EWNP MDL No:
Product Description
Catalog Number:
AG01EWNP
Chemical Name:
2,4,6-Triphenyl-1-(pyridin-4-ylmethyl)pyridin-1-ium perchlorate
CAS Number:
61655-18-3
Molecular Formula:
C29H23ClN2O4
Molecular Weight:
498.9569
IUPAC Name:
2,4,6-triphenyl-1-(pyridin-4-ylmethyl)pyridin-1-ium;perchlorate
InChI:
InChI=1S/C29H23N2.ClHO4/c1-4-10-24(11-5-1)27-20-28(25-12-6-2-7-13-25)31(22-23-16-18-30-19-17-23)29(21-27)26-14-8-3-9-15-26;2-1(3,4)5/h1-21H,22H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
KGFCRHOMCPIBSE-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)c1cc(cc([n+]1Cc1ccncc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.135g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
498.963g/mol
Monoisotopic Mass:
498.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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