Structure Info
- Chemspace ID
- CSMB00103045288 (Enamine MADE)
- CAS
- 2649003-57-4
- IUPAC Name
- 1-(1-isocyanatoethyl)-3-phenoxybenzene
- Mol formula
- C15H13NO2
- Mol weight
- 239 Da
- Catalog Number(s)
- BBV-137243929, CSC103045288, EN300-1862941, IMED3271496242
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.6
- Heavy atoms count
- 18
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.133
- Polar surface area (Å)
- 39
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00103045288
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