Structure Info
- Chemspace ID
- CSCS00135272746 (Synthesis)
- IUPAC Name
- methyl 2-amino-4-bromo-5-cyanobenzoate
- Mol formula
- C9H7BrN2O2
- Mol weight
- 255 Da
- Catalog Number(s)
- BBV-148360943, CSC135272746, FCH20017889
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.42
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 76
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00135272746
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