2-Chloro-8-ethyl-3-(2-nitroethenyl)quinoline
Completing data — refresh the page later to see the latest
Basic information
- CAS
1031929-26-6- Standard SMILES
CCc1cccc2cc(C=C[N+](=O)[O-])c(Cl)nc12- InChIKey
PXZZKMSKZPNMAN-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0509053
Names & identifiers
- Preferred name
- 2-Chloro-8-ethyl-3-(2-nitroethenyl)quinoline
- IUPAC
- 2-chloro-8-ethyl-3-(2-nitroethenyl)quinoline
- English name
- E-2-CHLORO-8-ETHYL-3-(2-NITRO)VINYLQUINOLINE
- Molecular formula
- C13H11ClN2O2
- Molecular weight
- 262.69
Names & synonyms
2-Chloro-8-ethyl-3-(2-nitroethenyl)quinoline1031929-26-6E-2-Chloro-8-ethyl-3-(2-nitro)vinylquinolineDTXSID406942852-Chloro-8-ethyl-3-(2-nitroethen-1-yl)quinolineQuinoline, 2-chloro-8-ethyl-3-(2-nitroethenyl)-
Database identifiers
- CAS
1031929-26-6- PubChem CID
- 53396802
- DTXSID
DTXSID40694285
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- Boiling point
- 418.736 · 418.736±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.321 · 1.321±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 0.745 · 0.745±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…