1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium
Basic information
- CAS
58099-86-8- Standard SMILES
Cc1c(-c2ccccc2)n(O)c(-c2ccc([N+](=O)[O-])cc2)[n+]1[O-]- InChIKey
XDJKLOIWMSEVQA-UHFFFAOYSA-N- Molecular formula
- C16H13N3O4
- Average molar mass
- 311.29 g/mol
- Monoisotopic mass
- 311.0906059
Names & identifiers
- Preferred name
- 1-Hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium
- IUPAC
- 1-hydroxy-4-methyl-2-(4-nitrophenyl)-3-oxido-5-phenylimidazol-3-ium
Names & synonyms
NSC307495NSC-30749558099-86-85230-93-3
Database identifiers
- CAS
58099-86-8- PubChem CID
- 328612
- DTXSID
DTXSID00966677
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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