2-Chloro-5,8-dimethyl-3-(2-nitroethenyl)quinoline
Basic information
- CAS
1031929-39-1- Standard SMILES
Cc1ccc(C)c2nc(Cl)c(C=C[N+](=O)[O-])cc12- InChIKey
ZPUWVSZHYKEFJC-UHFFFAOYSA-N- Molecular formula
- C13H11ClN2O2
- Average molar mass
- 262.69 g/mol
- Monoisotopic mass
- 262.0509053
Names & identifiers
- Preferred name
- 2-Chloro-5,8-dimethyl-3-(2-nitroethenyl)quinoline
- IUPAC
- 2-chloro-5,8-dimethyl-3-(2-nitroethenyl)quinoline
- English name
- E-2-Chloro-5,8-dimethyl-3-(2-nitro)vinylquinoline
- Molecular formula
- C13H11ClN2O2
- Molecular weight
- 262.69
Names & synonyms
2-Chloro-5,8-dimethyl-3-(2-nitroethenyl)quinoline1031929-39-1DTXSID106942922-Chloro-5,8-dimethyl-3-(2-nitroethen-1-yl)quinolineE-2-Chloro-5,8-dimethyl-3-(2-nitro)vinylquinolineQuinoline, 2-chloro-5,8-dimethyl-3-(2-nitroethenyl)-
Database identifiers
- CAS
1031929-39-1- PubChem CID
- 53396809
- DTXSID
DTXSID10694292
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Physicochemical properties
- Boiling point
- 422.7 · 422.7±40.0 °C(Predicted)
- Density
- 1.323 · 1.323±0.06 g/cm3(Predicted)
- pka
- -1.08 · -1.08±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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