Structure Info
- Chemspace ID
- CSMB00010712870 (Enamine MADE)
- CAS
- 1126479-87-5
- MFCD
- MFCD22494140
- IUPAC Name
- ethyl 4-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- Mol formula
- C16H20BNO4
- Mol weight
- 301 Da
- Catalog Number(s)
- 12-0009, 55, A019101858, A932902, AA00HCC3, AD239323, ADB1208714001, AG00HCEV, AI09039, AQ09039, AR00HD3V, ArZ-UP111232, BB4LS-BD00778435, BBV-77980620, BD00778435, BS-30121, BVB47987, CS-0177768, CSC010712870, F692076, F73106, FCH2889743, HY-W120608, LAN-B65994, LN04597155, P10042, Y1365624, ZX-AE050933
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.21
- Heavy atoms count
- 22
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB00010712870
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