Basic information
- Standard SMILES
CC1(C)OB(c2cccc(-c3ccc(F)cc3C#N)c2)OC1(C)C- InChIKey
WLRMLHUPLFXRAY-UHFFFAOYSA-N- Molecular formula
- C19H19BFNO2
- Average molar mass
- 323.2 g/mol
- Monoisotopic mass
- 323.1492872
Names & identifiers
- Preferred name
- 4-Fluoro-3'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile
- IUPAC
- 5-fluoro-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzonitrile
Names & synonyms
SCHEMBL2648758WLRMLHUPLFXRAY-UHFFFAOYSA-N4- Fluoro-3'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile4-Fluoro-3'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)biphenyl-2-carbonitrile
Database identifiers
- PubChem CID
- 22285336
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Related reactions
10 records
Compound notes
Loading…