3-(2-Chloro-6-fluorobenzyl)-5-phenyl-1,2,4-oxadiazole
Basic information
- CAS
6180-87-6- Standard SMILES
Fc1cccc(Cl)c1Cc1noc(-c2ccccc2)n1- InChIKey
GIODTZYNSHHFKU-UHFFFAOYSA-N- Molecular formula
- C15H10ClFN2O
- Average molar mass
- 288.7 g/mol
- Monoisotopic mass
- 288.0465688
Names & identifiers
- Preferred name
- 3-(2-Chloro-6-fluorobenzyl)-5-phenyl-1,2,4-oxadiazole
- IUPAC
- 3-[(2-chloro-6-fluorophenyl)methyl]-5-phenyl-1,2,4-oxadiazole
Names & synonyms
3-(2-chloro-6-fluorobenzyl)-5-phenyl-1,2,4-oxadiazole6180-87-63-[(2-chloro-6-fluorophenyl)methyl]-5-phenyl-1,2,4-oxadiazoleCBMicro_007758DTXSID10358029SMSF0014721CB10593BIM-0007961.P0016134-15-2
Database identifiers
- CAS
6180-87-6- PubChem CID
- 874765
- DTXSID
DTXSID10358029
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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