Structure Info
- Chemspace ID
- CSMB02517278165 (Enamine MADE)
- IUPAC Name
- 2-amino-4-bromo-6-fluoro-3-methylbenzonitrile
- Mol formula
- C8H6BrFN2
- Mol weight
- 229 Da
- Catalog Number(s)
- BBV-340107431
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.43
- Heavy atoms count
- 12
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 50
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB02517278165
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