N-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]prop-2-enamide
Structure Info
- Chemspace ID
- CSSB00160465181 (In-Stock Building Blocks)
- CAS
- 2361706-74-1
- IUPAC Name
- N-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]prop-2-enamide
- Mol formula
- C13H14ClNO3
- Mol weight
- 268 Da
- Catalog Number(s)
- BBLS00160465181, CSC160465181, CSCR00021270174, EN300-26584828, Z2517206121, bbls00160465181
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.85
- Heavy atoms count
- 18
- Rotatable bond count
- 3
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.307
- Polar surface area (Å)
- 48
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSB00160465181
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