Structure Info
- Chemspace ID
- CSMB03559882367 (Enamine MADE)
- IUPAC Name
- ethyl 3-cyano-2,5,6-trifluorobenzoate
- Mol formula
- C10H6F3NO2
- Mol weight
- 229 Da
- Catalog Number(s)
- BBV-403772835
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.62
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB03559882367
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