Structure Info
- Chemspace ID
- CSMB01997538758 (Enamine MADE)
- IUPAC Name
- pentan-3-yl 2,3,6-trifluorobenzoate
- Mol formula
- C12H13F3O2
- Mol weight
- 246 Da
- Catalog Number(s)
- BBV-326656324, CSCR00010724483, Z1725492442, s_1458_8989680_8739620, s_1458____8989680____8739620
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.22
- Heavy atoms count
- 17
- 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
- CSMB01997538758
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