Chemical ID: 5358905

c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)CC(=O)OCC(C(F)F)(F)F
Chemical ID:
5358905
Name [?]:
2,2,3,3-tetrafluoropropyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfonylacetate
SMILES [?]:
c1cc(c(cc1C(F)(F)F)[N+](=O)[O-])S(=O)(=O)CC(=O)OCC(C(F)F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H8F7NO6S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:-0.951009
Area:521.76
Solvation:-13.995
Coulombic:-65.1322
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:427.25
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.47
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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