Structure Info
- Chemspace ID
- CSCS00135341977 (Synthesis)
- IUPAC Name
- 5-bromo-5-methyl-2-nitrocyclohexa-1,3-dien-1-amine
- Mol formula
- C7H9BrN2O2
- Mol weight
- 233 Da
- Catalog Number(s)
- BBV-148963589, CSC135341977, FCH20089654
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 0.34
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00135341977
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