Structure Info
- Chemspace ID
- CSMB00000090378 (Enamine MADE)
- MFCD
- MFCD08848236
- IUPAC Name
- 6-nitro-2H-1,3-benzodioxole-5-carbonitrile
- Mol formula
- C8H4N2O4
- Mol weight
- 192 Da
- Catalog Number(s)
- B050528, BB54-3198, BBV-38300081, CCA80538, CS-0331867, CSC000090378, FCH863470, OSSL_668072, STK787116, UZI/2662144, Y4185593
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.39
- Heavy atoms count
- 14
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 85
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00000090378
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