Structure Info
- Chemspace ID
- CSMB03496569916 (Enamine MADE)
- CAS
- 2680758-96-5
- IUPAC Name
- 4-chloro-2-[2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamido]benzoic acid
- Mol formula
- C11H6ClF6NO3
- Mol weight
- 350 Da
- Catalog Number(s)
- BBV-391741263, EN300-28298422
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.42
- Heavy atoms count
- 22
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 58
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB03496569916
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