Structure Info
- Chemspace ID
- CSMB00020988361 (Enamine MADE)
- IUPAC Name
- 1-(2-bromo-3-fluoro-4-methylphenyl)ethan-1-one
- Mol formula
- C9H8BrFO
- Mol weight
- 231 Da
- Catalog Number(s)
- BBV-95851356, CSC020988361, FCH7047598
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.96
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 17
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00020988361
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