Structure Info
- Chemspace ID
- CSSB06256046718 (In-Stock Building Blocks)
- CAS
- 2731007-63-7
- MFCD
- MFCD34562856
- IUPAC Name
- ethyl 1-(iodomethyl)-3-(pyrazin-2-yl)-2-oxabicyclo[2.2.2]octane-4-carboxylate
- Mol formula
- C15H19IN2O3
- Mol weight
- 402 Da
- Catalog Number(s)
- ArZ-UP359064, EN300-36971629, ZX-NM261714
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.07
- Heavy atoms count
- 21
- Rotatable bond count
- 5
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.666
- Polar surface area (Å)
- 61
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB06256046718
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