Basic information
- Standard SMILES
OB(O)c1cc(Br)ccc1OCc1ccc(F)cc1F- InChIKey
WUJZTALMOBJHBW-UHFFFAOYSA-N- Molecular formula
- C13H10BBrF2O3
- Average molar mass
- 342.93 g/mol
- Monoisotopic mass
- 341.98744
Names & identifiers
- Preferred name
- 2-(2,4-Difluorobenzyloxy)-5-bromophenylboronic acid
- IUPAC
- [5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]boronic acid
Names & synonyms
SCHEMBL5109243WUJZTALMOBJHBW-UHFFFAOYSA-N2-(2,4-difluorobenzyloxy)-5-bromophenylboronic acid612833-71-3
Database identifiers
- PubChem CID
- 21112904
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Related reactions
2 records
Compound notes
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