Structure Info
- Chemspace ID
- CSMB03496566501 (Enamine MADE)
- CAS
- 2680716-79-2
- IUPAC Name
- 4,5-diethoxy-2-(2,2,2-trifluoroacetamido)benzoic acid
- Mol formula
- C13H14F3NO5
- Mol weight
- 321 Da
- Catalog Number(s)
- BBV-391742022, EN300-28294031
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.05
- Heavy atoms count
- 22
- Rotatable bond count
- 7
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 85
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB03496566501
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