Structure Info
- Chemspace ID
- CSSS00010044903 (In-Stock Screening Compounds)
- CAS
- 2268801-00-7
- MFCD
- MFCD18732286
- IUPAC Name
- 3-(propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- Mol formula
- C16H22BNO2
- Mol weight
- 271 Da
- Catalog Number(s)
- BBV-79470834, BL64710, CSC010044903, EN300-1666518, Y3162326, Z2049727135, ZXC393803
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.91
- Heavy atoms count
- 20
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.562
- Polar surface area (Å)
- 42
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00010044903
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