Structure Info
- Chemspace ID
- CSMB00010185911 (Enamine MADE)
- MFCD
- MFCD07781024
- IUPAC Name
- 4-acetyl-3-bromobenzonitrile
- Mol formula
- C9H6BrNO
- Mol weight
- 224 Da
- Catalog Number(s)
- A010123496, BBV-40261731, CSC010185911, FCH1385624, SAB-089704, SC-31589
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.16
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 41
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010185911
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