Structure Info
- Chemspace ID
- CSMB00011794217 (Enamine MADE)
- CAS
- 81664-52-0
- MFCD
- MFCD17168709
- IUPAC Name
- ethyl 5-amino-2-chloro-4-fluorobenzoate
- Mol formula
- C9H9ClFNO2
- Mol weight
- 218 Da
- Catalog Number(s)
- AT20084, BBV-36841637, BD01152711, CSC011794217, EN300-5015352, FCH5322432, Y4160774
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.25
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 52
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00011794217
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