Structure Info
- Chemspace ID
- CSMB00009866125 (Enamine MADE)
- CAS
- 1261876-72-5
- MFCD
- MFCD18395263
- IUPAC Name
- 1,3-difluoro-2-isocyanato-5-methoxybenzene
- Mol formula
- C8H5F2NO2
- Mol weight
- 185 Da
- Catalog Number(s)
- BBV-39753630, CSC009866125, EN300-1833996, FCH1164786, IMED3242518225
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.01
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 39
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00009866125
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