Structure Info
- Chemspace ID
- CSMB00000030821 (Enamine MADE)
- MFCD
- MFCD21985345
- IUPAC Name
- 1-ethoxy-2,5-dimethyl-4-nitrobenzene
- Mol formula
- C10H13NO3
- Mol weight
- 195 Da
- Catalog Number(s)
- A010014592, BBV-43518367, BD364635, CSC000030821, FCH1562272
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.14
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.4
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000030821
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