Home Sulfos 1-Benzyl-2,3,4,5-tetraphenyl-1H-imidazol-3-ium trifluoromethanesulfonate

1-Benzyl-2,3,4,5-tetraphenyl-1H-imidazol-3-ium trifluoromethanesulfonate

CAS No.:
81640-73-5
Catalog Number:
AG01EXIJ
Molecular Formula:
C35H27F3N2O3S
Molecular Weight:
612.6607
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
96%
1 week
United States
$330
- +
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
MDL Number:
MFCD00961336
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
Properties