Structure Info
- Chemspace ID
- CSCS00135237022 (Synthesis)
- IUPAC Name
- 3,5-dichloro-2-(hydroxymethyl)benzonitrile
- Mol formula
- C8H5Cl2NO
- Mol weight
- 202 Da
- Catalog Number(s)
- BBV-148309409, CSC135237022, FCH19982127
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.27
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- 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
- CSCS00135237022
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