Structure Info
- Chemspace ID
- CSCS00135195550 (Synthesis)
- IUPAC Name
- 1-(3-amino-2-bromo-5-methylphenyl)ethan-1-one
- Mol formula
- C9H10BrNO
- Mol weight
- 228 Da
- Catalog Number(s)
- BBV-148267895, CSC135195550, FCH19940544
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.98
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.22222222222222
- Polar surface area (Å)
- 43
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSCS00135195550
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