Structure Info
- Chemspace ID
- CSMB00135537195 (Enamine MADE)
- CAS
- 1644383-46-9
- MFCD
- MFCD35115587
- IUPAC Name
- methyl 2-amino-5-cyano-3-fluorobenzoate
- Mol formula
- C9H7FN2O2
- Mol weight
- 194 Da
- Catalog Number(s)
- AA02M626, AD240563, BBV-112919835, BD01641760, BR93418, CS-0613272, CSC135537195, F553357, FCH9292213, G75100, LN04962568, Y4177026
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.8
- 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
- CSMB00135537195
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