Structure Info
- Chemspace ID
- CSSS00021182044 (In-Stock Screening Compounds)
- CAS
- 1289107-03-4, 2094504-03-5
- MFCD
- MFCD29119849
- IUPAC Name
- 2-bromo-5-(methylsulfanyl)benzaldehyde
- Mol formula
- C8H7BrOS
- Mol weight
- 231 Da
- Catalog Number(s)
- AD247225, ArZ-UP181714, BB4LS-EN300-21666534, BBV-96507119, BJ64566, BVV-821229310, CSC021182044, EN300-21666534, F1957-0830, FCH7180817, Y3136850, Z2511826750, ZX-NM224989, ZXC388771
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.08
- Heavy atoms count
- 11
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 17
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00021182044
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