4-Nitro-3-phenylfuroxan
Basic information
- CAS
49558-03-4- Standard SMILES
O=[N+]([O-])c1no[n+]([O-])c1-c1ccccc1- InChIKey
XIEWBGZOLGSTEO-UHFFFAOYSA-N- Molecular formula
- C8H5N3O4
- Average molar mass
- 207.14 g/mol
- Monoisotopic mass
- 207.02800564
Names & identifiers
- Preferred name
- 4-Nitro-3-phenylfuroxan
- IUPAC
- 4-nitro-2-oxido-3-phenyl-1,2,5-oxadiazol-2-ium
Names & synonyms
CHEMBL12155064-Nitro-3-phenyl-1,2,5-oxadiazole 2-oxide4-nitro-3-phenylfuroxan3-phenyl-4-nitrofuroxanSCHEMBL9173319XIEWBGZOLGSTEO-UHFFFAOYSA-NBDBM50324354AKOS0005059394-nitro-3-phenyl-1,2,5-oxadiazol-2-olST50215940InChI=1/C8H5N3O4/c12-10(13)8-7(11(14)15-9-8)6-4-2-1-3-5-6/h1-5
Database identifiers
- CAS
49558-03-4- PubChem CID
- 560674
- DTXSID
DTXSID701313536- ChEMBL
CHEMBL1215506- Nikkaji
- J632.767B
Properties
Computed structural properties
- XLogP
- 2
- 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
2 records
Compound notes
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