Structure Info
- Chemspace ID
- CSCS00135258867 (Synthesis)
- IUPAC Name
- 3-bromo-4-formyl-5-methylbenzonitrile
- Mol formula
- C9H6BrNO
- Mol weight
- 224 Da
- Catalog Number(s)
- BBV-148331280, CSC135258867, FCH20003996
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.82
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.11111111111111
- Polar surface area (Å)
- 41
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00135258867
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