Structure Info
- Chemspace ID
- CSMB01993639469 (Enamine MADE)
- IUPAC Name
- but-2-yn-1-yl 2,3,6-trifluorobenzoate
- Mol formula
- C11H7F3O2
- Mol weight
- 228 Da
- Catalog Number(s)
- BBV-1207131104, CSCR00005037064, Z1725506764, s_1458_8989680_6198796, s_1458____8989680____6198796
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.47
- Heavy atoms count
- 16
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.181
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB01993639469
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