Structure Info
- Chemspace ID
- CSMB00010152354 (Enamine MADE)
- MFCD
- MFCD18410372
- IUPAC Name
- 2-bromo-3-ethylbenzoic acid
- Mol formula
- C9H9BrO2
- Mol weight
- 229 Da
- Catalog Number(s)
- A010000082, AG-B28281, BBV-40249406, CSC010152354, FCH1373299
- 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
- CSMB00010152354
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