Structure Info
- Chemspace ID
- CSCS00021577122 (Synthesis)
- MFCD
- MFCD34551734
- IUPAC Name
- 4-iodo-5-methoxy-2-nitrobenzonitrile
- Mol formula
- C8H5IN2O3
- Mol weight
- 304 Da
- Catalog Number(s)
- BBV-107671171, CSC021577122, FCH7933096
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.54
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00021577122
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