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117186-54-6 | Ethanesulfonic acid, 2,2,2-trifluoro-, 1,1'-(1,4-butanediyl) ester
CAS No: 117186-54-6 Catalog No: AG000DVJ MDL No:MFCD00142546
Product Description
Catalog Number:
AG000DVJ
Chemical Name:
Ethanesulfonic acid, 2,2,2-trifluoro-, 1,1'-(1,4-butanediyl) ester
CAS Number:
117186-54-6
Molecular Formula:
C8H12F6O6S2
Molecular Weight:
382.2977
MDL Number:
MFCD00142546
IUPAC Name:
4-(2,2,2-trifluoroethylsulfonyloxy)butyl 2,2,2-trifluoroethanesulfonate
InChI:
InChI=1S/C8H12F6O6S2/c9-7(10,11)5-21(15,16)19-3-1-2-4-20-22(17,18)6-8(12,13)14/h1-6H2
InChI Key:
DAWNBKJYEPYYJD-UHFFFAOYSA-N
SMILES:
FC(CS(=O)(=O)OCCCCOS(=O)(=O)CC(F)(F)F)(F)F
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.998g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.288g/mol
Monoisotopic Mass:
381.998g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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