1-Benzyl-3-methylimidazolium trifluoromethanesulfonate
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Basic information
- CAS
606925-13-7- Standard SMILES
C[n+]1ccn(Cc2ccccc2)c1.O=S(=O)([O-])C(F)(F)F- InChIKey
MINQAGIVFVSOOZ-UHFFFAOYSA-M- Molecular formula
- C12H13F3N2O3S
- Average molar mass
- 322.31 g/mol
Names & identifiers
- Preferred name
- 1-Benzyl-3-methylimidazolium trifluoromethanesulfonate
- IUPAC
- 1-benzyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
- English name
- BzMIMOTF
- Molecular formula
- C12H13F3N2O3S
- Molecular weight
- 322.3
Names & synonyms
BzMIMOTF606925-13-71-benzyl-3-methylimidazolium trifluoromethanesulfonate3-Benzyl-1-methyl-1H-imidazol-3-ium trifluoromethanesulfonateSCHEMBL2831762SCHEMBL2831764MINQAGIVFVSOOZ-UHFFFAOYSA-MDB-291363B2MIMOTF
Database identifiers
- CAS
606925-13-7
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 74.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Melting point
- 27 °C · 27 °C
- Density
- 1.3 g/cm3 · 1.30 g/cm3(Temp: 30 °C)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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