Structure Info
- Chemspace ID
- CSMB01993927060 (Enamine MADE)
- IUPAC Name
- cyanomethyl 2,3,5,6-tetrafluorobenzoate
- Mol formula
- C9H3F4NO2
- Mol weight
- 233 Da
- Catalog Number(s)
- BBV-47808305, CSCR00005452850, Z1333073953, s_1458_6507174_483934, s_1458____6507174____483934
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.08
- Heavy atoms count
- 16
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.111
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB01993927060
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