5-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
Basic information
- CAS
694521-58-9- Standard SMILES
O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1- InChIKey
UKJADNVCKXUUJF-UHFFFAOYSA-N- Molecular formula
- C14H7Cl2N3O3
- Average molar mass
- 336.1 g/mol
- Monoisotopic mass
- 334.9864465
Names & identifiers
- Preferred name
- 5-(2,4-Dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
- IUPAC
- 5-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
- English name
- 5-(2,4-DICHLOROPHENYL)-3-(3-NITROPHENYL)-1,2,4-OXADIAZOLE
- Molecular formula
- C14H7Cl2N3O3
- Molecular weight
- 336.13
Names & synonyms
5-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole694521-58-9MFCD03717917C14H7Cl2N3O3Cambridge id 7325208DTXSID90358325AKOS003338584BS-23287CS-02115291,2,4-Oxadiazole, 5-(2,4-dichlorophenyl)-3-(3-nitrophenyl)-
Database identifiers
- CAS
694521-58-9- PubChem CID
- 887481
- DTXSID
DTXSID90358325
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- storage temp.
- 2 · 2-8°C
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Compound notes
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