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Compound
2-Ethoxy-5-nitroquinoline
HCID
21948830
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOc1ccc2c([N+](=O)[O-])cccc2n1
InChIKey
AJGBYJMGQNVVSA-UHFFFAOYSA-N
Molecular formula
C11H10N2O3
Average molar mass
218.21 g/mol
Monoisotopic mass
218.06914219
Names & identifiers
Preferred name
2-Ethoxy-5-nitroquinoline
IUPAC
2-ethoxy-5-nitroquinoline
Names & synonyms
2-ethoxy-5-nitroquinoline
53913-65-8
SCHEMBL4824153
AJGBYJMGQNVVSA-UHFFFAOYSA-N
Database identifiers
PubChem CID
21948830
Properties
Computed structural properties
XLogP
2.5
Topological polar surface area
67.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
254
Show all 8
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Related reactions
7 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
2054940
As product
uspto-grants-2008_02
HRID
2054941
As reactant
uspto-grants-2008_02
HRID
2154939
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2182658
As product
uspto-grants-2005_05
HRID
2182659
As reactant
uspto-grants-2005_05
HRID
2215392
As product
uspto-grants-2006_09
HRID
2215393
As reactant
uspto-grants-2006_09
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Compound notes
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