Structure Info
- Chemspace ID
- CSCS00009898439 (Synthesis)
- MFCD
- MFCD20627080
- IUPAC Name
- 4-bromo-3-methylcyclohexa-2,5-dien-1-one
- Mol formula
- C7H7BrO
- Mol weight
- 187 Da
- Catalog Number(s)
- BBV-39908206, CSC009898439, FCH1206220
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.19
- Heavy atoms count
- 9
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.28571428571429
- Polar surface area (Å)
- 17
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00009898439
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