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174899-65-1

174899-65-1 | 1H-Imidazolium, 3-ethyl-1-methyl-, 2,2,2-trifluoroacetate (1:1)

CAS No: 174899-65-1 Catalog No: AG00200L MDL No:MFCD08458492

Product Description

Catalog Number:
AG00200L
Chemical Name:
1H-Imidazolium, 3-ethyl-1-methyl-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
174899-65-1
Molecular Formula:
C8H13F3N2O2
Molecular Weight:
226.1962
MDL Number:
MFCD08458492
IUPAC Name:
1-ethyl-3-methylimidazol-3-ium;2,2,2-trifluoroacetate
InChI:
InChI=1S/C6H11N2.C2HF3O2/c1-3-8-5-4-7(2)6-8;3-2(4,5)1(6)7/h4-6H,3H2,1-2H3;(H,6,7)/q+1;/p-1
InChI Key:
JOKVYNJKBRLDAT-UHFFFAOYSA-M
SMILES:
[O-]C(=O)C(F)(F)F.CCN1C=C[NH+](C1)C

Properties

Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.183g/mol
Monoisotopic Mass:
224.077g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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