Structure Info
- Chemspace ID
- CSSB06354213995 (In-Stock Building Blocks)
- CAS
- 2742660-97-3
- MFCD
- MFCD34575491
- IUPAC Name
- ethyl 3-(4-cyanophenyl)-1-(iodomethyl)-2-oxabicyclo[2.2.2]octane-4-carboxylate
- Mol formula
- C18H20INO3
- Mol weight
- 425 Da
- Catalog Number(s)
- EN300-37160756
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.13
- Heavy atoms count
- 23
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.555
- Polar surface area (Å)
- 59
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB06354213995
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