Structure Info
- Chemspace ID
- CSCS00021045577 (Synthesis)
- MFCD
- MFCD00625706
- IUPAC Name
- (4-bromo-4-methylcyclohexa-1,5-dien-1-yl)(phenyl)methanone
- Mol formula
- C14H13BrO
- Mol weight
- 277 Da
- Catalog Number(s)
- BBV-78469346, BDA69357, CSC021045577, FCH4094340, V7681
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.72
- Heavy atoms count
- 16
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.214
- Polar surface area (Å)
- 17
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00021045577
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