Structure Info
- Chemspace ID
- CSMB00025788631 (Enamine MADE)
- CAS
- 2137713-33-6
- MFCD
- MFCD30734876
- IUPAC Name
- 1-tert-butyl 4-chloromethyl 1,2,3,6-tetrahydropyridine-1,4-dicarboxylate
- Mol formula
- C12H18ClNO4
- Mol weight
- 276 Da
- Catalog Number(s)
- BBV-109998857, CSC025788631, EN300-386839, FCH9165573
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.16
- Heavy atoms count
- 18
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.666
- Polar surface area (Å)
- 56
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00025788631
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