Structure Info
- Chemspace ID
- CSMB00010725596 (Enamine MADE)
- MFCD
- MFCD22573013
- IUPAC Name
- 1-(2-bromo-6-methylphenyl)ethan-1-one
- Mol formula
- C9H9BrO
- Mol weight
- 213 Da
- Catalog Number(s)
- A019113087, A129530, A738433, AG134871, BBV-46758853, BD269294, CD12140214, CSC010725596, LAN-B73088, LN02154732, Y1358089, YFA51771
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.81
- Heavy atoms count
- 11
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 17
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010725596
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