Structure Info
- Chemspace ID
- CSSS00010042555 (In-Stock Screening Compounds)
- CAS
- 1256358-98-1
- MFCD
- MFCD18729928
- IUPAC Name
- 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzonitrile
- Mol formula
- C14H15BF3NO2
- Mol weight
- 297 Da
- Catalog Number(s)
- BB4LS-EN300-24888286, BBV-78225573, CSC010042555, EN300-24888286, FCH2748463, Z2049748119
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.6
- Heavy atoms count
- 21
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 42
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00010042555
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