Structure Info
- Chemspace ID
- CSSS00102528008 (In-Stock Screening Compounds)
- CAS
- 876322-58-6
- MFCD
- MFCD21605391
- IUPAC Name
- N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide
- Mol formula
- C21H23BF3NO3
- Mol weight
- 405 Da
- Catalog Number(s)
- A1-44141, AX47442, BB4LS-EN300-372083, CSC102528008, EN300-372083, SY399013, Y3151824, Z2768165133
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 6.31
- Heavy atoms count
- 29
- Rotatable bond count
- 4
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.38
- Polar surface area (Å)
- 48
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00102528008
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