Structure Info
- Chemspace ID
- CSCS00010413467 (Synthesis)
- MFCD
- MFCD24470124
- IUPAC Name
- tert-butyl 6-chloro-7-methoxy-2,3,4,5-tetrahydro-1H-2-benzazepine-2-carboxylate
- Mol formula
- C16H22ClNO3
- Mol weight
- 312 Da
- Catalog Number(s)
- BBV-45043129, CSC010413467, FCH1663377
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.75
- Heavy atoms count
- 21
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.5625
- Polar surface area (Å)
- 39
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00010413467
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