Structure Info
- Chemspace ID
- CSMB02518808865 (Enamine MADE)
- CAS
- 2580220-12-6
- IUPAC Name
- 3-{[(tert-butoxy)carbonyl]amino}-6-fluoro-2-(trifluoromethyl)benzoic acid
- Mol formula
- C13H13F4NO4
- Mol weight
- 323 Da
- Catalog Number(s)
- BBV-339847973, EN300-27732810
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.56
- Heavy atoms count
- 22
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.384
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB02518808865
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