Structure Info
- Chemspace ID
- CSMB00021207338 (Enamine MADE)
- IUPAC Name
- 1-(2-bromo-6-hydroxy-3-methylphenyl)ethan-1-one
- Mol formula
- C9H9BrO2
- Mol weight
- 229 Da
- Catalog Number(s)
- BBV-95834013, CSC021207338, FCH6991442
- 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
- 0.222
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00021207338
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