Structure Info
- Chemspace ID
- CSMB00010164404 (Enamine MADE)
- CAS
- 773134-90-0
- MFCD
- MFCD06204406
- IUPAC Name
- ethyl 2,3,6-trifluorobenzoate
- Mol formula
- C9H7F3O2
- Mol weight
- 204 Da
- Catalog Number(s)
- 46350, 197170, A010041189, A081739, A909689, AA01FF5A, AG01FF82, AG178465, AR01FFX2, AX98986, ArZ-UP521539, BB4LS-BD331808, BBV-40253489, BD331808, BF98986, CD12032078, CS-0191701, CSC010164404, CSCR00001097910, E82306, F098752, FCH1377382, HY-W135467, LN02134189, PC99358, SAB-100652, W163806, Y1265251, Z1725502255, ZX-RC059664, ZXC200047, s_1458_8989680_483918, s_1458____8989680____483918
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.76
- Heavy atoms count
- 14
- Rotatable bond count
- 3
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010164404
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