Chemical ID: 4688376

COC(=O)c1c(ccs1)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F
Chemical ID:
4688376
Name [?]:
methyl 3-[2-nitro-4-(trifluoromethyl)phenoxy]thiophene-2-carboxylate
SMILES [?]:
COC(=O)c1c(ccs1)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H8F3NO5S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:1.27404
Area:478.482
Solvation:-10.688
Coulombic:-53.5184
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:347.268
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.48
LogP (Chemaxon):3.28

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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