Agn-PC-0jtz6V
Completing data — refresh the page later to see the latest
Basic information
- CAS
4594-97-2- Standard SMILES
O=[N+]([O-])c1ccc(C=Cc2ccnc3ccccc23)cc1- InChIKey
XIQMWPFHUZOJIB-UHFFFAOYSA-N- Molecular formula
- C17H12N2O2
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.08987763
Names & identifiers
- Preferred name
- Agn-PC-0jtz6V
- IUPAC
- 4-[2-(4-nitrophenyl)ethenyl]quinoline
- English name
- 4-(p-Nitrostyryl)quinoline
- Molecular formula
- C17H12N2O2
- Molecular weight
- 276.29
Names & synonyms
4594-97-2AGN-PC-0JTZ6VDTXSID60347625RefChem:317626DTXCID502986974-[2-(4-nitrophenyl)ethenyl]quinoline4-(p-Nitrostyryl)quinoline4-(4-nitrostyryl)quinolineSCHEMBL12265034-[2-(4-Nitrophenyl)ethen-1-yl]quinolineDS-014742Quinoline, 4-[2-(4-nitrophenyl)ethenyl]-
Database identifiers
- CAS
4594-97-2- PubChem CID
- 623926
- DTXSID
DTXSID60347625
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Melting point
- 227 · 227-229 °C
- Boiling point
- 446.4 · 446.4±14.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- pka
- 5.07 · 5.07±0.42(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…