Structure Info
- Chemspace ID
- CSSB06256034133 (In-Stock Building Blocks)
- CAS
- 2703781-14-8
- MFCD
- MFCD34551033
- IUPAC Name
- ethyl 3-(1-ethyl-1H-pyrazol-4-yl)-1-(iodomethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylate
- Mol formula
- C16H23IN2O3
- Mol weight
- 418 Da
- Catalog Number(s)
- EN300-33041451
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.06
- Heavy atoms count
- 22
- Rotatable bond count
- 6
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.75
- Polar surface area (Å)
- 53
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB06256034133
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