Structure Info
- Chemspace ID
- CSMB00137318409 (Enamine MADE)
- MFCD
- MFCD28780390
- IUPAC Name
- ethyl 5-cyano-4-methyl-2-nitrobenzoate
- Mol formula
- C11H10N2O4
- Mol weight
- 234 Da
- Catalog Number(s)
- A010011877, BBV-1216004468, CSC137318409
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.64
- Heavy atoms count
- 17
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.272
- Polar surface area (Å)
- 93
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00137318409
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