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404001-52-1 | 1-DODECYL-3-METHYLIMIDAZOLIUM TRIFLATE
CAS No: 404001-52-1 Catalog No: AG00CKO2 MDL No:
Product Description
Catalog Number:
AG00CKO2
Chemical Name:
1-DODECYL-3-METHYLIMIDAZOLIUM TRIFLATE
CAS Number:
404001-52-1
IUPAC Name:
1-dodecyl-3-methylimidazol-3-ium;trifluoromethanesulfonate
InChI:
InChI=1S/C16H31N2.CHF3O3S/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-14-17(2)16-18;2-1(3,4)8(5,6)7/h14-16H,3-13H2,1-2H3;(H,5,6,7)/q+1;/p-1
InChI Key:
RSNWMNCQEJIOHL-UHFFFAOYSA-M
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.201g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.501g/mol
Monoisotopic Mass:
400.201g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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