Structure Info
- Chemspace ID
- CSMB06834517263 (Enamine MADE)
- IUPAC Name
- pentan-3-yl 4-bromo-2,3,5,6-tetrafluorobenzoate
- Mol formula
- C12H11BrF4O2
- Mol weight
- 343 Da
- Catalog Number(s)
- BBV-870321296, s_1458_25960210_8739620, s_1458____25960210____8739620
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 5.13
- Heavy atoms count
- 19
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.416
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB06834517263
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