Basic information
- CAS
676998-17-7- Standard SMILES
CCc1nc2ccccc2cc1[N+](=O)[O-]- InChIKey
BJEOXPWZHDEDBC-UHFFFAOYSA-N- Molecular formula
- C11H10N2O2
- Average molar mass
- 202.21 g/mol
Names & identifiers
- Preferred name
- 2-Ethyl-3-nitroquinoline
- IUPAC
- 2-ethyl-3-nitroquinoline
- English name
- Quinoline, 2-ethyl-3-nitro- (9CI)
- Molecular formula
- C11H10N2O2
- Molecular weight
- 202.21
Names & synonyms
2-ethyl-3-nitroquinoline676998-17-72-ethyl-3-nitro-quinolineQuinoline, 2-ethyl-3-nitro-Quinoline, 2-ethyl-3-nitro- (9CI)
Database identifiers
- CAS
676998-17-7- Nikkaji
- J2.026.892A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 310.3 · 310.3±22.0 °C(Predicted)
- Density
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- pka
- 1.92 · 1.92±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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