Structure Info
- Chemspace ID
- CSMB20514375099 (Enamine MADE)
- IUPAC Name
- 4-bromo-2-chloro-3-hydroxy-6-methylbenzonitrile
- Mol formula
- C8H5BrClNO
- Mol weight
- 246 Da
- Catalog Number(s)
- BBV-1365259900
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.41
- Heavy atoms count
- 12
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 44
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB20514375099
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