Structure Info
- Chemspace ID
- CSSS00020869229 (In-Stock Screening Compounds)
- CAS
- 1627614-44-1
- MFCD
- MFCD29059493
- IUPAC Name
- 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,3-benzodioxole-5-carbonitrile
- Mol formula
- C14H16BNO4
- Mol weight
- 273 Da
- Catalog Number(s)
- ArZ-UP371607, BB4LS-EN300-25359173, BBV-91801851, BL54221, CSC020869229, EN300-25359173, FCH7160204, Y1111098, Y3198146, Z2466490189, ZXC144743, ZXC254543
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.4
- Heavy atoms count
- 20
- Rotatable bond count
- 1
- Number of rings
- 3
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 61
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00020869229
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