Pyridazine, 4-nitro-, 1-oxide

HCID 147196

Notes Reactions

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Basic information

CAS: 28147-45-7
Standard SMILES: O=[N+]([O-])c1cc[n+]([O-])nc1
InChIKey: DLPVMLNSRZSOAK-UHFFFAOYSA-N
Molecular formula: C4H3N3O3
Average molar mass: 141.09 g/mol
Monoisotopic mass: 141.01744097

Names & identifiers

Preferred name: Pyridazine, 4-nitro-, 1-oxide
IUPAC: 4-nitro-1-oxidopyridazin-1-ium

Names & synonyms

Pyridazine, 4-nitro-, 1-oxide28147-45-7DTXSID20182418RefChem:1097255DTXCID301049094-Nitropyridazine 1-oxide4-nitropyridazine-1-oxideSCHEMBL9274555DLPVMLNSRZSOAK-UHFFFAOYSA-N4-Nitro-1-oxo-1lambda~5~-pyridazine

Database identifiers

CAS: 28147-45-7
PubChem CID: 147196
DTXSID: DTXSID20182418
Nikkaji: J151.408C

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 84.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 134

Related reactions

2 records

New reaction record

HRID 648425As productuspto-grants-1988_04

HRID 1134251As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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