Structure Info
- Chemspace ID
- CSMB00014797278 (Enamine MADE)
- MFCD
- MFCD32092585
- IUPAC Name
- 5-bromo-2-ethynylbenzoic acid
- Mol formula
- C9H5BrO2
- Mol weight
- 225 Da
- Catalog Number(s)
- BBV-68689854, CSC014797278, FCH5334787
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.55
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00014797278
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