Structure Info
- Chemspace ID
- CSMB00010152355 (Enamine MADE)
- MFCD
- MFCD18410373
- IUPAC Name
- 2-bromo-4-ethylbenzoic acid
- Mol formula
- C9H9BrO2
- Mol weight
- 229 Da
- Catalog Number(s)
- 52530, A010000113, AA021O8U, AG021OBM, BBV-40249407, BD489356, BI37210, CS-0190112, CSC010152355, E91563, HY-W133173, LN04679451, Y4045949
- 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
- CSMB00010152355
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