Structure Info
- Chemspace ID
- CSMB00137351633 (Enamine MADE)
- MFCD
- MFCD28779372
- IUPAC Name
- methyl 3-cyano-2-methoxy-6-nitrobenzoate
- Mol formula
- C10H8N2O5
- Mol weight
- 236 Da
- Catalog Number(s)
- A015012937, BBV-392753228, CSC137351633
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.62
- Heavy atoms count
- 17
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.2
- Polar surface area (Å)
- 102
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00137351633
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