Structure Info
- Chemspace ID
- CSMB03496566734 (Enamine MADE)
- CAS
- 2680781-44-4
- IUPAC Name
- 3,4,5-trimethoxy-2-(2,2,2-trifluoroacetamido)benzoic acid
- Mol formula
- C12H12F3NO6
- Mol weight
- 323 Da
- Catalog Number(s)
- BBV-391733941, EN300-28294332
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.18
- Heavy atoms count
- 22
- Rotatable bond count
- 6
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 94
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 2
- Zoom the structure
- CSMB03496566734
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