5-Chloro-1-(3-Fluorophenyl)-1,3-dihydrobenzo[c][1,2]oxaborole
Basic information
- Standard SMILES
Fc1cccc(B2OCc3cc(Cl)ccc32)c1- InChIKey
HHLQTIUKGYQQOD-UHFFFAOYSA-N- Molecular formula
- C13H9BClFO
- Average molar mass
- 246.47 g/mol
- Monoisotopic mass
- 246.0419009
Names & identifiers
- Preferred name
- 5-Chloro-1-(3-Fluorophenyl)-1,3-dihydrobenzo[c][1,2]oxaborole
- IUPAC
- 5-chloro-1-(3-fluorophenyl)-3H-2,1-benzoxaborole
Names & synonyms
SCHEMBL594859HHLQTIUKGYQQOD-UHFFFAOYSA-N5-Chloro-1-(3-Fluorophenyl)-1,3-dihydrobenzo[c]-[1,2]oxaborole5-Chloro-1-(3-Fluorophenyl)-1,3-dihydrobenzo[c][1,2]oxaborole
Database identifiers
- PubChem CID
- 11207355
Properties
Computed structural properties
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
2 records
Compound notes
Loading…