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Home > Fluorides > 122948-46-3
122948-46-3 | Methanesulfonic acid, 1,1,1-trifluoro-, 6-oxo-1-cyclohexen-1-yl ester
CAS No: 122948-46-3 Catalog No: AG000JT5 MDL No:
Product Description
Catalog Number:
AG000JT5
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 6-oxo-1-cyclohexen-1-yl ester
CAS Number:
122948-46-3
Molecular Formula:
C7H7F3O4S
Molecular Weight:
244.1883
IUPAC Name:
(6-oxocyclohexen-1-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C7H7F3O4S/c8-7(9,10)15(12,13)14-6-4-2-1-3-5(6)11/h4H,1-3H2
InChI Key:
DPPZSOXYROEJKQ-UHFFFAOYSA-N
SMILES:
O=C1CCCC=C1OS(=O)(=O)C(F)(F)F
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.002g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.184g/mol
Monoisotopic Mass:
244.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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