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89060-28-6 | Pyridinium, 1-[(1,3-diphenyl-1H-1,2,4-triazol-5-yl)methyl]-, perchlorate
CAS No: 89060-28-6 Catalog No: AG00412M MDL No:
Product Description
Catalog Number:
AG00412M
Chemical Name:
Pyridinium, 1-[(1,3-diphenyl-1H-1,2,4-triazol-5-yl)methyl]-, perchlorate
CAS Number:
89060-28-6
Molecular Formula:
C20H17ClN4O4
Molecular Weight:
412.8264
IUPAC Name:
1-[(2,5-diphenyl-1,2,4-triazol-3-yl)methyl]pyridin-1-ium;perchlorate
InChI:
InChI=1S/C20H17N4.ClHO4/c1-4-10-17(11-5-1)20-21-19(16-23-14-8-3-9-15-23)24(22-20)18-12-6-2-7-13-18;2-1(3,4)5/h1-15H,16H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
BZIOSQXDBXUKFN-UHFFFAOYSA-M
SMILES:
c1cc[n+](cc1)Cc1nc(nn1c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.094g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.83g/mol
Monoisotopic Mass:
412.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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