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17763-91-6 | Methanesulfonic acid, 1,1,1-trifluoro-, 1,1'-(1,2-phenylene) ester
CAS No: 17763-91-6 Catalog No: AG0025FM MDL No:MFCD00274274
Product Description
Catalog Number:
AG0025FM
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 1,1'-(1,2-phenylene) ester
CAS Number:
17763-91-6
Molecular Formula:
C8H4F6O6S2
Molecular Weight:
374.2342
MDL Number:
MFCD00274274
IUPAC Name:
[2-(trifluoromethylsulfonyloxy)phenyl] trifluoromethanesulfonate
InChI:
InChI=1S/C8H4F6O6S2/c9-7(10,11)21(15,16)19-5-3-1-2-4-6(5)20-22(17,18)8(12,13)14/h1-4H
InChI Key:
XISAIQHXAICQIV-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)Oc1ccccc1OS(=O)(=O)C(F)(F)F)(F)F
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.935g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.224g/mol
Monoisotopic Mass:
373.935g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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