Structure Info
- Chemspace ID
- CSMB20471809162 (Enamine MADE)
- IUPAC Name
- 2-chloro-4-cyano-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
- Mol formula
- C14H15BClNO4
- Mol weight
- 308 Da
- Catalog Number(s)
- BBV-1321176438
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.75
- Heavy atoms count
- 21
- Rotatable bond count
- 2
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.428
- Polar surface area (Å)
- 80
- Hydrogen bond acceptors count
- 5
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB20471809162
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