Ethyl 2-(((Trifluoromethyl)sulfonyl)oxy)pentanoate - CAS 109684-05-1
Catalog: |
BB065680 |
Product Name: |
Ethyl 2-(((Trifluoromethyl)sulfonyl)oxy)pentanoate |
CAS: |
109684-05-1 |
Synonyms: |
ethyl 2-([(trifluoromethyl)sulphonyl]oxy)pentanoate; Ethyl 2-[(trifluoromethanesulfonyl)oxy]pentanoate |
IUPAC Name: | ethyl 2-(trifluoromethylsulfonyloxy)pentanoate |
Molecular Weight: | 278.25 |
Molecular Formula: | C8H13F3O5S |
Canonical SMILES: | CCCC(C(=O)OCC)OS(=O)(=O)C(F)(F)F |
InChI: | InChI=1S/C8H13F3O5S/c1-3-5-6(7(12)15-4-2)16-17(13,14)8(9,10)11/h6H,3-5H2,1-2H3 |
InChI Key: | QQGABBCSGGJCFO-UHFFFAOYSA-N |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.04357917 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.04357917 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 78Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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