Quinoline, 3-nitro-, 1-oxide
Basic information
- CAS
7433-86-5- Standard SMILES
O=[N+]([O-])c1cc2ccccc2[n+]([O-])c1- InChIKey
JHPHHDGOLBLRRM-UHFFFAOYSA-N- Molecular formula
- C9H6N2O3
- Average molar mass
- 190.16 g/mol
- Monoisotopic mass
- 190.03784206
Names & identifiers
- Preferred name
- Quinoline, 3-nitro-, 1-oxide
- IUPAC
- 3-nitro-1-oxidoquinolin-1-ium
- English name
- 3-Nitro-quinoline 1-oxide
- Molecular formula
- C9H6N2O3
- Molecular weight
- 190.16
Names & synonyms
Quinoline, 3-nitro-, 1-oxide3-Nitroquinoline 1-oxideDTXSID50225342BRN 0165282RefChem:3785734-20-00-03396 (Beilstein Handbook Reference)DTXCID501478337433-86-53-nitroquinoline-1-oxideSCHEMBL9476286SCHEMBL110951953-Nitro-1-oxo-1lambda~5~-quinoline
Show more names
3-Nitro-quinoline 1-oxide
Database identifiers
- CAS
7433-86-5- PubChem CID
- 81935
- DTXSID
DTXSID50225342- Nikkaji
- J59.545D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 192 · 192-193 °C
- Boiling point
- 400.9 · 400.9±37.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- -1.26 · -1.26±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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