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34646-13-4

34646-13-4 | 1,2-Dimethyl-4,6-bis(4-methylphenyl)pyridin-1-ium perchlorate

CAS No: 34646-13-4 Catalog No: AG01EVMH MDL No:

Product Description

Catalog Number:
AG01EVMH
Chemical Name:
1,2-Dimethyl-4,6-bis(4-methylphenyl)pyridin-1-ium perchlorate
CAS Number:
34646-13-4
Molecular Formula:
C21H22ClNO4
Molecular Weight:
387.8567
IUPAC Name:
1,2-dimethyl-4,6-bis(4-methylphenyl)pyridin-1-ium;perchlorate
InChI:
InChI=1S/C21H22N.ClHO4/c1-15-5-9-18(10-6-15)20-13-17(3)22(4)21(14-20)19-11-7-16(2)8-12-19;2-1(3,4)5/h5-14H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
NJSZGHBEHZHMIK-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1ccc(cc1)c1cc(C)[n+](c(c1)c1ccc(cc1)C)C

Properties

Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.124g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.86g/mol
Monoisotopic Mass:
387.124g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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