2,3-Difluoro4-(4-pentyloxybutoxy)phenylboronic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCCOCCCCOc1ccc(B(O)O)c(F)c1F- InChIKey
NVMLIGCYWJXTGO-UHFFFAOYSA-N- Molecular formula
- C15H23BF2O4
- Average molar mass
- 316.15 g/mol
Names & identifiers
- Preferred name
- 2,3-Difluoro4-(4-pentyloxybutoxy)phenylboronic acid
- IUPAC
- [2,3-difluoro-4-(4-pentoxybutoxy)phenyl]boronic acid
Names & synonyms
SCHEMBL6000401NVMLIGCYWJXTGO-UHFFFAOYSA-N2,3-Difluoro4-(4-pentyloxybutoxy)phenylboronic acid2,3-Difluoro-4-(4-pentyloxybutoxy)phenylboronic acid402860-16-6
Database identifiers
- PubChem CID
- 22016255
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 284
Related reactions
4 records
Compound notes
Loading…