3-(3-Bromophenyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
Basic information
- CAS
1003221-16-6- Standard SMILES
Clc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1- InChIKey
ITWDJQWXRPIVQZ-UHFFFAOYSA-N- Molecular formula
- C14H8BrClN2O
- Average molar mass
- 335.58 g/mol
- Monoisotopic mass
- 333.95085
Names & identifiers
- Preferred name
- 3-(3-Bromophenyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
- IUPAC
- 3-(3-bromophenyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
Names & synonyms
3-(3-bromophenyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole1003221-16-6DTXSID00429257
Database identifiers
- CAS
1003221-16-6- PubChem CID
- 8895089
- DTXSID
DTXSID00429257
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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