Structure Info
- Chemspace ID
- CSSS00021266721 (In-Stock Screening Compounds)
- CAS
- 1289063-54-2, 2094504-03-5
- MFCD
- MFCD29119855
- IUPAC Name
- 2-bromo-5-ethylbenzaldehyde
- Mol formula
- C9H9BrO
- Mol weight
- 213 Da
- Catalog Number(s)
- A010050517, ArZ-UP181692, BB4LS-EN300-21666539, BBV-103316322, BL37713, BVV-821241442, CSC021266721, EN300-21666539, FCH7443284, Y3169706, Z2511826756, ZX-NM224967, ZXC395260
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.41
- Heavy atoms count
- 11
- Rotatable bond count
- 2
- 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
- CSSS00021266721
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