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Home > Pyridines > 460047-06-7
460047-06-7 | 1-(2-tert-Butylphenyl)-2,4,6-trimethyl-1,5-pyridin-1-ylium perchlorate
CAS No: 460047-06-7 Catalog No: AG01EW2O MDL No:
Product Description
Catalog Number:
AG01EW2O
Chemical Name:
1-(2-tert-Butylphenyl)-2,4,6-trimethyl-1,5-pyridin-1-ylium perchlorate
CAS Number:
460047-06-7
Molecular Formula:
C18H24ClNO4
Molecular Weight:
353.8405
IUPAC Name:
1-(2-tert-butylphenyl)-2,4,6-trimethylpyridin-1-ium;perchlorate
InChI:
InChI=1S/C18H24N.ClHO4/c1-13-11-14(2)19(15(3)12-13)17-10-8-7-9-16(17)18(4,5)6;2-1(3,4)5/h7-12H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
LBLPQSIOQRYCDA-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1cc(C)[n+](c(c1)C)c1ccccc1C(C)(C)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.139g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.843g/mol
Monoisotopic Mass:
353.139g/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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