Structure Info
- Chemspace ID
- CSMB00012702210 (Enamine MADE)
- CAS
- 1538539-21-7
- MFCD
- MFCD23840185
- IUPAC Name
- 4,4-difluoro-2-methanesulfonyl-3-oxobutanenitrile
- Mol formula
- C5H5F2NO3S
- Mol weight
- 197 Da
- Catalog Number(s)
- BBV-42891877, BD01004124, CSC012702210, EN300-1125670
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.57
- Heavy atoms count
- 12
- Rotatable bond count
- 3
- Number of rings
- 0
- Carbon bond saturation, Fsp3
- 0.6
- Polar surface area (Å)
- 75
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00012702210
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