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2-Ethoxy-5-nitroquinoline

HCID 21948830
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

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-nitroquinoline53913-65-8SCHEMBL4824153AJGBYJMGQNVVSA-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

Related reactions

7 records
New reaction record
HRID 2054940 reaction equation
HRID 2054940As productuspto-grants-2008_02
HRID 2054941 reaction equation
HRID 2054941As reactantuspto-grants-2008_02
HRID 2154939 reaction equation
HRID 2154939As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2182658 reaction equation
HRID 2182658As productuspto-grants-2005_05
HRID 2182659 reaction equation
HRID 2182659As reactantuspto-grants-2005_05
HRID 2215392 reaction equation
HRID 2215392As productuspto-grants-2006_09
HRID 2215393 reaction equation
HRID 2215393As reactantuspto-grants-2006_09

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes