Structure Info
- Chemspace ID
- CSCS00010880400 (Synthesis)
- MFCD
- MFCD25966675
- IUPAC Name
- 4-methyl-5-nitro-2H-1,3-benzodioxole
- Mol formula
- C8H7NO4
- Mol weight
- 181 Da
- Catalog Number(s)
- BBV-51277417, CSC010880400, FCH2417171, ZX-ARV16754
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.05
- Heavy atoms count
- 13
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.25
- Polar surface area (Å)
- 62
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00010880400
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