Home Other Building Blocks 1-Carbobenzoxy-3-methylimidazolium triflate

1-Carbobenzoxy-3-methylimidazolium triflate

CAS No.:
163080-99-7
Catalog Number:
AG001TNS
Molecular Formula:
C13H15F3N2O5S
Molecular Weight:
368.3288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>98.0%(HPLC)(N)
1 week
United States
$221
- +
Product Description
Catalog Number:
AG001TNS
Chemical Name:
1-Carbobenzoxy-3-methylimidazolium triflate
CAS Number:
163080-99-7
Molecular Formula:
C13H15F3N2O5S
Molecular Weight:
368.3288
MDL Number:
MFCD20265581
IUPAC Name:
benzyl 3-methylimidazol-3-ium-1-carboxylate;trifluoromethanesulfonate
InChI:
InChI=1S/C12H13N2O2.CHF3O3S/c1-13-7-8-14(10-13)12(15)16-9-11-5-3-2-4-6-11;2-1(3,4)8(5,6)7/h2-8,10H,9H2,1H3;(H,5,6,7)/q+1;/p-1
InChI Key:
ICFSDLPZJDDPHP-UHFFFAOYSA-M
SMILES:
FC(S(=O)(=O)[O-])(F)F.O=C(N1C=C[NH+](C1)C)OCc1ccccc1
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.05g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.311g/mol
Monoisotopic Mass:
366.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties