Basic information
- CAS
1029439-86-8- Standard SMILES
OB(O)c1ccc(Oc2cccc(F)c2)c(F)c1F- InChIKey
UYPJNDKZVZKSGM-UHFFFAOYSA-N- Molecular formula
- C12H8BF3O3
- Average molar mass
- 268 g/mol
- Monoisotopic mass
- 268.0518588
Names & identifiers
- Preferred name
- (2,3-Difluoro-4-(3-fluorophenoxy)phenyl)boronic acid
- IUPAC
- [2,3-difluoro-4-(3-fluorophenoxy)phenyl]boronic acid
Names & synonyms
1029439-86-8(2,3-Difluoro-4-(3-fluorophenoxy)phenyl)boronic acid[2,3-difluoro-4-(3-fluorophenoxy)phenyl]boronic acidSCHEMBL177323DTXSID701209341B-[2,3-Difluoro-4-(3-fluorophenoxy)phenyl]boronic acid
Database identifiers
- CAS
1029439-86-8- PubChem CID
- 57655331
- DTXSID
DTXSID701209341
Properties
Computed structural properties
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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