4-Oxo-2,5-diphenyl-6H-1,3,4lambda~5~-oxadiazin-6-one
Basic information
- CAS
28969-37-1- Standard SMILES
O=c1oc(-c2ccccc2)n[n+]([O-])c1-c1ccccc1- InChIKey
OGIXZUWVCGTRME-UHFFFAOYSA-N- Molecular formula
- C15H10N2O3
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.06914219
Names & identifiers
- Preferred name
- 4-Oxo-2,5-diphenyl-6H-1,3,4lambda~5~-oxadiazin-6-one
- IUPAC
- 4-oxido-2,5-diphenyl-1,3,4-oxadiazin-4-ium-6-one
Names & synonyms
DTXSID9031103628969-37-14-Oxo-2,5-diphenyl-6H-1,3,4lambda~5~-oxadiazin-6-oneRefChem:295224DTXCID60262162NSC236258NSC-236258
Database identifiers
- CAS
28969-37-1- PubChem CID
- 314960
- DTXSID
DTXSID90311036
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 444
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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