Structure Info
- Chemspace ID
- CSMB20500086749 (Enamine MADE)
- IUPAC Name
- 1-bromo-3-chloro-5-ethynyl-2-methoxybenzene
- Mol formula
- C9H6BrClO
- Mol weight
- 246 Da
- Catalog Number(s)
- BBV-1350794355
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.34
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 9
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB20500086749
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