Structure Info
- Chemspace ID
- CSMB02516706952 (Enamine MADE)
- IUPAC Name
- 5-(²H₃)methoxy-4-methyl-2-nitrobenzonitrile
- Mol formula
- C9H8N2O3
- Mol weight
- 195 Da
- Catalog Number(s)
- BBV-322209577
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.13
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB02516706952
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