Structure Info
- Chemspace ID
- CSMB02521168779 (Enamine MADE)
- CAS
- 2580220-53-5
- IUPAC Name
- tert-butyl 5-amino-2-chloro-4-fluorobenzoate
- Mol formula
- C11H13ClFNO2
- Mol weight
- 246 Da
- Catalog Number(s)
- BBV-339847577, EN300-27724894
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.95
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.363
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB02521168779
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