Structure Info
- Chemspace ID
- CSCS00016306123 (Synthesis)
- IUPAC Name
- 4-[(2E)-5-bromopent-2-en-1-yl]-1-methyl-1H-pyrazole
- Mol formula
- C9H13BrN2
- Mol weight
- 229 Da
- Catalog Number(s)
- BBV-99541763, CSC016306123, FCH7299828
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.43
- Heavy atoms count
- 12
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.444
- Polar surface area (Å)
- 18
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00016306123
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