Basic information
- CAS
52239-76-6- Standard SMILES
O=C1CCC(c2cccc([N+](=O)[O-])c2)=NN1- InChIKey
FXGPGOXCPDDDGY-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 6-(3-Nitrophenyl)-4,5-dihydropyridazin-3(2h)-one
- IUPAC
- 3-(3-nitrophenyl)-4,5-dihydro-1H-pyridazin-6-one
Names & synonyms
6-(3-nitrophenyl)-4,5-dihydropyridazin-3(2h)-one52239-76-6DTXSID10303791RefChem:306578DTXCID80254923NSC162059SCHEMBL11624623STL572863AKOS016373581NSC-162059
Database identifiers
- CAS
52239-76-6- PubChem CID
- 294103
- DTXSID
DTXSID10303791
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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