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79783-56-5 | 2,4,6-Trimethyl-1-[3-(trifluoromethyl)phenyl]-pyridinium perchlorate
CAS No: 79783-56-5 Catalog No: AG01EXG7 MDL No:
Product Description
Catalog Number:
AG01EXG7
Chemical Name:
2,4,6-Trimethyl-1-[3-(trifluoromethyl)phenyl]-pyridinium perchlorate
CAS Number:
79783-56-5
Molecular Formula:
C15H15ClF3NO4
Molecular Weight:
365.7321
IUPAC Name:
2,4,6-trimethyl-1-[3-(trifluoromethyl)phenyl]pyridin-1-ium;perchlorate
InChI:
InChI=1S/C15H15F3N.ClHO4/c1-10-7-11(2)19(12(3)8-10)14-6-4-5-13(9-14)15(16,17)18;2-1(3,4)5/h4-9H,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
PMYVPWDWXXCJRN-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)[n+](c(c1)C)c1cccc(c1)C(F)(F)F
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.733g/mol
Monoisotopic Mass:
365.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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