Structure Info
- Chemspace ID
- CSMB00010152356 (Enamine MADE)
- MFCD
- MFCD18410374
- IUPAC Name
- 2-bromo-5-ethylbenzoic acid
- Mol formula
- C9H9BrO2
- Mol weight
- 229 Da
- Catalog Number(s)
- 105459-30-1, 78892, 78892-0.25G, A010000083, A838487, AA0096FS, ACDS-060608, AE28148, AG0096IK, AG179202, AM28148, AR00977K, B186375, BB001653, BBV-40249408, BD332595, CD12183472, CSC010152356, FEA45930, LAN-B57696, LN02186297, O32076, SAB-111535, Y1337361
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.36
- Heavy atoms count
- 12
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00010152356
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