3-(2-Bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
Basic information
- CAS
914242-45-8- Standard SMILES
Fc1ccc(-c2nc(-c3ccccc3Br)no2)cc1- InChIKey
XSZBGODFOBBPOW-UHFFFAOYSA-N- Molecular formula
- C14H8BrFN2O
- Average molar mass
- 319.13 g/mol
- Monoisotopic mass
- 317.9804
Names & identifiers
- Preferred name
- 3-(2-Bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
- IUPAC
- 3-(2-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
Names & synonyms
3-(2-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole914242-45-8DTXSID20401090
Database identifiers
- CAS
914242-45-8- PubChem CID
- 4233282
- DTXSID
DTXSID20401090
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
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Compound notes
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