5-(2-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
Basic information
- CAS
861238-44-0- Standard SMILES
O=[N+]([O-])c1ccc(-c2noc(-c3ccccc3Cl)n2)cc1- InChIKey
VAJPOGWNCSNRAY-UHFFFAOYSA-N- Molecular formula
- C14H8ClN3O3
- Average molar mass
- 301.68 g/mol
- Monoisotopic mass
- 301.0254188
Names & identifiers
- Preferred name
- 5-(2-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
- IUPAC
- 5-(2-chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
- English name
- 5-(2-Chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole
- Molecular formula
- C14H8ClN3O3
- Molecular weight
- 301.68
Names & synonyms
5-(2-chlorophenyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole861238-44-0MFCD03885006SCHEMBL16592585DTXSID40358956STK321537AKOS003338767BS-23288CS-02135011,2,4-Oxadiazole, 5-(2-chlorophenyl)-3-(4-nitrophenyl)-
Database identifiers
- CAS
861238-44-0- PubChem CID
- 926652
- DTXSID
DTXSID40358956
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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