Structure Info
- Chemspace ID
- CSMB00021207339 (Enamine MADE)
- MFCD
- MFCD31698171
- IUPAC Name
- 1-(2-bromo-6-hydroxy-4-methylphenyl)ethan-1-one
- Mol formula
- C9H9BrO2
- Mol weight
- 229 Da
- Catalog Number(s)
- A019119587, A812455, AG102194, BBV-95834014, BD00738012, CSC021207339, FCH6991443, Y4044634
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.16
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.22222222222222
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00021207339
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