Structure Info
- Chemspace ID
- CSMB06833175696 (Enamine MADE)
- IUPAC Name
- penta-3,4-dien-1-yl 4-bromo-2,3,5,6-tetrafluorobenzoate
- Mol formula
- C12H7BrF4O2
- Mol weight
- 339 Da
- Catalog Number(s)
- BBV-868944610, s_1458_25960210_26093800, s_1458____25960210____26093800
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.57
- Heavy atoms count
- 19
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.166
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB06833175696
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