3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide
Basic information
- CAS
76016-69-8- Standard SMILES
O=[N+]([O-])c1c(-c2ccccc2)no[n+]1[O-]- InChIKey
YCYGCMHATNZXJZ-UHFFFAOYSA-N- Molecular formula
- C8H5N3O4
- Average molar mass
- 207.14 g/mol
- Monoisotopic mass
- 207.02800565
Names & identifiers
- Preferred name
- 3-Nitro-4-phenyl-1,2,5-oxadiazole 2-oxide
- IUPAC
- 3-nitro-2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium
Names & synonyms
CHEMBL121550776016-69-8phenylnitrofuroxanNSC1707373-nitro-4-phenyl-1,2,5-oxadiazole 2-oxide3-nitro-2-oxido-4-phenyl-1,2,5-oxadiazol-2-iumDTXSID40305420BDBM50324365AKOS005443177NSC-1707373-nitro-4-phenyl-1,2,5-oxadiazol-2-olST51058055
Show more names
3-Nitro-2-oxo-4-phenyl-1,2lambda~5~,5-oxadiazoleInChI=1/C8H5N3O4/c12-10(13)8-7(9-15-11(8)14)6-4-2-1-3-5-6/h1-5
Database identifiers
- CAS
76016-69-8- PubChem CID
- 298546
- DTXSID
DTXSID40305420- ChEMBL
CHEMBL1215507- Nikkaji
- J632.768K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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