Structure Info
- Chemspace ID
- CSMB00054226731 (Enamine MADE)
- IUPAC Name
- propyl 2,3,6-trifluorobenzoate
- Mol formula
- C10H9F3O2
- Mol weight
- 218 Da
- Catalog Number(s)
- BBV-109991594, CSC054226731, CSCR00002534430, Z1725508730, s_1458_8989680_13271110, s_1458____8989680____13271110
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.28
- Heavy atoms count
- 15
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.3
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00054226731
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