Structure Info
- Chemspace ID
- CSMB00013085318 (Enamine MADE)
- CAS
- 944268-58-0
- MFCD
- MFCD22573015
- IUPAC Name
- 1-(2-bromo-3-methylphenyl)ethan-1-one
- Mol formula
- C9H9BrO
- Mol weight
- 213 Da
- Catalog Number(s)
- A019110332, A129532, A386831, AA00II2O, AG00II5G, AG134872, AI63132, AQ63132, AR00IIUG, BBV-46758855, BD269295, BS-17953, CD12003775, CS-0153706, CSC013085318, D82779, F451623, HY-W101064, IMED3241353800, LN02171591, OR86046, R815695, SAB-108050, UMB26858, X197723, Y1200683
- 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
- CSMB00013085318
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