Structure Info
- Chemspace ID
- CSCS14863684333 (Synthesis)
- IUPAC Name
- 1-(3,5-dibromo-6-sulfanylidenecyclohexa-1,3-dien-1-yl)propan-1-one
- Mol formula
- C9H8Br2OS
- Mol weight
- 324 Da
- Catalog Number(s)
- BBV-1194810119, Y1352042
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.86
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.333
- Polar surface area (Å)
- 17
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS14863684333
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