3,4-Bis(3-nitrophenyl)-1,2,5-oxadiazole 2-oxide
Basic information
- CAS
51003-63-5- Standard SMILES
O=[N+]([O-])c1cccc(-c2no[n+]([O-])c2-c2cccc([N+](=O)[O-])c2)c1- InChIKey
ZTKFCKKIGNJNAT-UHFFFAOYSA-N- Molecular formula
- C14H8N4O6
- Average molar mass
- 328.24 g/mol
- Monoisotopic mass
- 328.04438399
Names & identifiers
- Preferred name
- 3,4-Bis(3-nitrophenyl)-1,2,5-oxadiazole 2-oxide
- IUPAC
- 3,4-bis(3-nitrophenyl)-2-oxido-1,2,5-oxadiazol-2-ium
Names & synonyms
3,4-bis(3-nitrophenyl)-1,2,5-oxadiazole 2-oxide51003-63-53,4-bis(3-nitrophenyl)-2-oxido-1,2,5-oxadiazol-2-iumNSC1449945568-35-4CHEMBL3917851SCHEMBL17286397DTXSID40301624NSC-1449943,4-Bis(3-nitrophenyl)-2-oxo-1,2lambda~5~,5-oxadiazole
Database identifiers
- CAS
51003-63-5- PubChem CID
- 286537
- DTXSID
DTXSID40301624- ChEMBL
CHEMBL3917851
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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