Basic information
- CAS
26218-40-6- Standard SMILES
COc1ccc(-c2no[n+]([O-])c2-c2ccc(OC)cc2)cc1- InChIKey
VFVWUBWCNIMKNN-UHFFFAOYSA-N- Molecular formula
- C16H14N2O4
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.09535693
Names & identifiers
- Preferred name
- 1,2,5-Oxadiazole, 3,4-bis(4-methoxyphenyl)-, 2-oxide
- IUPAC
- 3,4-bis(4-methoxyphenyl)-2-oxido-1,2,5-oxadiazol-2-ium
Names & synonyms
1,2,5-Oxadiazole, 3,4-bis(4-methoxyphenyl)-, 2-oxide26218-40-6DTXSID80356734RefChem:215347DTXCID50307793Oprea1_7479953,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole 2-oxide3,4-bis(4-methoxyphenyl)-1,2,5-oxadiazole N-oxide3,4-bis(4-methoxyphenyl)-2-oxido-[1,2,5]oxadiazol-2-ium3,4-Bis(4-methoxyphenyl)-2-oxo-1,2lambda~5~,5-oxadiazole
Database identifiers
- CAS
26218-40-6- PubChem CID
- 830693
- DTXSID
DTXSID80356734- Nikkaji
- J449.870D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 341
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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