Structure Info
- Chemspace ID
- CSMB06388579653 (Enamine MADE)
- IUPAC Name
- tert-butyl 2,3,6-trifluoro-5-(1-isocyanatocyclopropyl)benzoate
- Mol formula
- C15H14F3NO3
- Mol weight
- 313 Da
- Catalog Number(s)
- BBV-566570974
- 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
- 2
- Carbon bond saturation, Fsp3
- 0.466
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB06388579653
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