Structure Info
- Chemspace ID
- CSMB00052872927 (Enamine MADE)
- IUPAC Name
- 1,3-difluoro-2-isothiocyanato-5-methoxybenzene
- Mol formula
- C8H5F2NOS
- Mol weight
- 201 Da
- Catalog Number(s)
- BBV-105841439, CSC052872927, FCH7583908
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.12
- Heavy atoms count
- 13
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.125
- Polar surface area (Å)
- 22
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00052872927
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