Structure Info
- Chemspace ID
- CSMB20471634840 (Enamine MADE)
- IUPAC Name
- 2-chloro-4,5-difluoro-3-isocyano-1-(methoxycarbonyl)benzene
- Mol formula
- C9H4ClF2NO2
- Mol weight
- 232 Da
- Catalog Number(s)
- BBV-1320995141
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.59
- Heavy atoms count
- 15
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 31
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB20471634840
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