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1199773-43-7 | Methanesulfonic acid, 1,1,1-trifluoro-, 4-[(trifluoromethyl)thio]phenyl ester
CAS No: 1199773-43-7 Catalog No: AG000PYD MDL No:MFCD13195749
Product Description
Catalog Number:
AG000PYD
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4-[(trifluoromethyl)thio]phenyl ester
CAS Number:
1199773-43-7
Molecular Formula:
C8H4F6O3S2
Molecular Weight:
326.2360
MDL Number:
MFCD13195749
IUPAC Name:
[4-(trifluoromethylsulfanyl)phenyl] trifluoromethanesulfonate
InChI:
InChI=1S/C8H4F6O3S2/c9-7(10,11)18-6-3-1-5(2-4-6)17-19(15,16)8(12,13)14/h1-4H
InChI Key:
YYBAGZUYNXKDQD-UHFFFAOYSA-N
SMILES:
FC(Sc1ccc(cc1)OS(=O)(=O)C(F)(F)F)(F)F
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.951g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.227g/mol
Monoisotopic Mass:
325.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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