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70962-45-7 | 3-[(2,4,6-Triphenylpyridin-1-ium-1-yl)methyl]pyridin-1-ium-1-olate perchlorate
CAS No: 70962-45-7 Catalog No: AG01EX1S MDL No:
Product Description
Catalog Number:
AG01EX1S
Chemical Name:
3-[(2,4,6-Triphenylpyridin-1-ium-1-yl)methyl]pyridin-1-ium-1-olate perchlorate
CAS Number:
70962-45-7
Molecular Formula:
C29H23ClN2O5
Molecular Weight:
514.9563
IUPAC Name:
1-[(1-oxidopyridin-1-ium-3-yl)methyl]-2,4,6-triphenylpyridin-1-ium;perchlorate
InChI:
InChI=1S/C29H23N2O.ClHO4/c32-30-18-10-11-23(21-30)22-31-28(25-14-6-2-7-15-25)19-27(24-12-4-1-5-13-24)20-29(31)26-16-8-3-9-17-26;2-1(3,4)5/h1-21H,22H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
KSBQZNSUGIKJJA-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[O-][n+]1cccc(c1)C[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
617
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.13g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.962g/mol
Monoisotopic Mass:
514.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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