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Home > Fluorides > 124878-44-0
124878-44-0 | Methanesulfonic acid, 1,1,1-trifluoro-, 4,5,6,7-tetrahydro-2-oxepinyl ester
CAS No: 124878-44-0 Catalog No: AG000MUO MDL No:
Product Description
Catalog Number:
AG000MUO
Chemical Name:
Methanesulfonic acid, 1,1,1-trifluoro-, 4,5,6,7-tetrahydro-2-oxepinyl ester
CAS Number:
124878-44-0
Molecular Formula:
C7H9F3O4S
Molecular Weight:
246.2042
IUPAC Name:
2,3,4,5-tetrahydrooxepin-7-yl trifluoromethanesulfonate
InChI:
InChI=1S/C7H9F3O4S/c8-7(9,10)15(11,12)14-6-4-2-1-3-5-13-6/h4H,1-3,5H2
InChI Key:
OGWUIBACAOXBEN-UHFFFAOYSA-N
SMILES:
FC(S(=O)(=O)OC1=CCCCCO1)(F)F
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.017g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.2g/mol
Monoisotopic Mass:
246.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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