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Structure Info
- Chemspace ID
- CSCS00135193185 (Synthesis)
- IUPAC Name
methyl 6-amino-3-cyano-2-nitrobenzoate
- Mol formula
- C9H7N3O4
- Mol weight
- 221 Da
- Catalog Number(s)
BBV-148265529, CSC135193185, FCH19938179
Properties
- LogP
- 1.59
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.11111111111111
- Polar surface area (Å)
- 119
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
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