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81640-73-5 | 1-Benzyl-2,3,4,5-tetraphenyl-1H-imidazol-3-ium trifluoromethanesulfonate
CAS No: 81640-73-5 Catalog No: AG01EXIJ MDL No:
Product Description
Catalog Number:
AG01EXIJ
Chemical Name:
1-Benzyl-2,3,4,5-tetraphenyl-1H-imidazol-3-ium trifluoromethanesulfonate
CAS Number:
81640-73-5
Molecular Formula:
C35H27F3N2O3S
Molecular Weight:
612.6607
IUPAC Name:
1-benzyl-2,3,4,5-tetraphenylimidazol-1-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C34H27N2.CHF3O3S/c1-6-16-27(17-7-1)26-35-32(28-18-8-2-9-19-28)33(29-20-10-3-11-21-29)36(31-24-14-5-15-25-31)34(35)30-22-12-4-13-23-30;2-1(3,4)8(5,6)7/h1-25H,26H2;(H,5,6,7)/q+1;/p-1
InChI Key:
ROMJUKTZXHQCBZ-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)Cn1c(c2ccccc2)[n+](c(c1c1ccccc1)c1ccccc1)c1ccccc1.[O-]S(=O)(=O)C(F)(F)F
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
612.169g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
612.667g/mol
Monoisotopic Mass:
612.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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