Structure Info
- Chemspace ID
- CSSS00010081602 (In-Stock Screening Compounds)
- CAS
- 2121514-67-6
- MFCD
- MFCD16994361
- IUPAC Name
- 4-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
- Mol formula
- C13H16BNO3
- Mol weight
- 245 Da
- Catalog Number(s)
- BB4LS-EN300-6763847, BBV-77582215, CSC010081602, EN300-6763847, FCH2775120, Z2049756289
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.43
- Heavy atoms count
- 18
- Rotatable bond count
- 1
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.461
- Polar surface area (Å)
- 62
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSSS00010081602
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