Structure Info
- Chemspace ID
- CSMB00010241012 (Enamine MADE)
- MFCD
- MFCD11557568
- IUPAC Name
- 3-bromo-5-chloro-4-methoxybenzonitrile
- Mol formula
- C8H5BrClNO
- Mol weight
- 246 Da
- Catalog Number(s)
- BBV-40280835, CSC010241012, CSCR01039048249, FCH1404728, Z3222257128, s_7_15422008_5046, s_7____15422008____5046
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.04
- Heavy atoms count
- 12
- Rotatable bond count
- 1
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 33
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010241012
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