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Home > Fluorides > 150765-78-9
150765-78-9 | Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl ester
CAS No: 150765-78-9 Catalog No: AG001MU3 MDL No:
Product Description
Catalog Number:
AG001MU3
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 2-methyl-3-oxo-1-cyclohexen-1-yl ester
CAS Number:
150765-78-9
Molecular Formula:
C8H9F3O4S
Molecular Weight:
258.2149
IUPAC Name:
(2-methyl-3-oxocyclohexen-1-yl) trifluoromethanesulfonate
InChI:
InChI=1S/C8H9F3O4S/c1-5-6(12)3-2-4-7(5)15-16(13,14)8(9,10)11/h2-4H2,1H3
InChI Key:
WEEZERRDHRWNFK-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)OC1=C(C)C(=O)CCC1)(F)F
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.211g/mol
Monoisotopic Mass:
258.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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