Structure Info
- Chemspace ID
- CSCS00009896132 (Synthesis)
- MFCD
- MFCD20624574
- IUPAC Name
- 5-bromo-2,5,6,7-tetrahydrooxepin-2-one
- Mol formula
- C6H7BrO2
- Mol weight
- 191 Da
- Catalog Number(s)
- BBV-39905432, CSC009896132, FCH1203623
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 1.51
- Heavy atoms count
- 9
- Rotatable bond count
- 0
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSCS00009896132
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