Structure Info
- Chemspace ID
- CSMB00012921586 (Enamine MADE)
- MFCD
- MFCD24108543
- IUPAC Name
- methyl 3-chloro-4-fluoro-5-nitrobenzoate
- Mol formula
- C8H5ClFNO4
- Mol weight
- 234 Da
- Catalog Number(s)
- 183459, BBV-44626458, CSC012921586, D657717, FCH5821396, G10680, LN04609754, ZXC089784
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.66
- Heavy atoms count
- 15
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00012921586
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