Structure Info
- Chemspace ID
- CSMB00013778378 (Enamine MADE)
- CAS
- 1552088-93-3
- MFCD
- MFCD35367736
- IUPAC Name
- 1-(2-bromo-4-methylphenyl)prop-2-en-1-one
- Mol formula
- C10H9BrO
- Mol weight
- 225 Da
- Catalog Number(s)
- BBV-53220046, CSC013778378, EN300-2001746, IMED3243079149
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.57
- Heavy atoms count
- 12
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.1
- Polar surface area (Å)
- 17
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00013778378
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