4,5-Dinitroquinoline 1-oxide

HCID 85345

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Basic information

CAS: 16238-73-6
Standard SMILES: O=[N+]([O-])c1cccc2c1c([N+](=O)[O-])cc[n+]2[O-]
InChIKey: VJEAOAHNLWAJGZ-UHFFFAOYSA-N
Molecular formula: C9H5N3O5
Average molar mass: 235.15 g/mol
Monoisotopic mass: 235.02292027

Names & identifiers

Preferred name: 4,5-Dinitroquinoline 1-oxide
IUPAC: 4,5-dinitro-1-oxidoquinolin-1-ium

Names & synonyms

4,5-Dinitroquinoline 1-oxide16238-73-6Quinoline, 4,5-dinitro-, 1-oxide4,5-dinitro-1-oxidoquinolin-1-ium4,5-Dinitroquinoline N-oxideNSC-265330NSC 2653304,5-dinitroquinolin-1-ium-1-olateCHEMBL3244934Quinoline,5-dinitro-, 1-oxideDTXSID60167365AMS537S566

Show more names

NSC2653304,5-Dinitro-1-oxo-1lambda~5~-quinoline

Database identifiers

CAS: 16238-73-6
PubChem CID: 85345
DTXSID: DTXSID60167365
ChEMBL: CHEMBL3244934
UNII: AMS537S566
Nikkaji: J1.606.819E

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 117 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 326

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