Structure Info
- Chemspace ID
- CSMB00015448728 (Enamine MADE)
- CAS
- 1032667-96-1
- MFCD
- MFCD24105328
- IUPAC Name
- methyl 2-amino-3-chloro-5-cyanobenzoate
- Mol formula
- C9H7ClN2O2
- Mol weight
- 211 Da
- Catalog Number(s)
- AD239128, BBV-44610396, BD01376572, BI46149, CS-0532502, CSC015448728, F783594, FCH3516453, G73911, Y4170698
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.26
- 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
- CSMB00015448728
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