Structure Info
- Chemspace ID
- CSCS00135171735 (Synthesis)
- IUPAC Name
- methyl 2-amino-5-cyano-4-iodobenzoate
- Mol formula
- C9H7IN2O2
- Mol weight
- 302 Da
- Catalog Number(s)
- BBV-148244078, CSC135171735, FCH19916728
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.58
- 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
- CSCS00135171735
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