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Home > Fluorides > 681856-28-0
681856-28-0 | 1-Ethyl-3-methyl-1H-imidazol-3-ium trifluoro(trifluoromethyl)borate
CAS No: 681856-28-0 Catalog No: AG003EB0 MDL No:
Product Description
Catalog Number:
AG003EB0
Chemical Name:
1-Ethyl-3-methyl-1H-imidazol-3-ium trifluoro(trifluoromethyl)borate
CAS Number:
681856-28-0
Molecular Formula:
C7H11BF6N2
Molecular Weight:
247.9771
IUPAC Name:
1-ethyl-3-methylimidazol-3-ium;trifluoro(trifluoromethyl)boranuide
InChI:
InChI=1S/C6H11N2.CBF6/c1-3-8-5-4-7(2)6-8;3-1(4,5)2(6,7)8/h4-6H,3H2,1-2H3;/q+1;-1
InChI Key:
YTANZWHOSGQGAP-UHFFFAOYSA-N
SMILES:
FC([B-](F)(F)F)(F)F.CCn1cc[n+](c1)C
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.092g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.979g/mol
Monoisotopic Mass:
248.092g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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