Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
2-chloro-4-ethyl-6-nitroQuinoline
HCID
22018954
Save
New note
New reaction
Request quotes
Share
Print preview
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CCc1cc(Cl)nc2ccc([N+](=O)[O-])cc12
InChIKey
TYMCMGIGMTUNOS-UHFFFAOYSA-N
Molecular formula
C11H9ClN2O2
Average molar mass
236.65 g/mol
Names & identifiers
Preferred name
2-chloro-4-ethyl-6-nitroQuinoline
IUPAC
2-chloro-4-ethyl-6-nitroquinoline
Names & synonyms
2-chloro-4-ethyl-6-nitroQuinoline
178481-19-1
SCHEMBL5873698
TYMCMGIGMTUNOS-UHFFFAOYSA-N
DA-09149
Database identifiers
PubChem CID
22018954
Properties
Computed structural properties
XLogP
3.8
Topological polar surface area
58.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
269
Show all 8
Show all 8 / 8
Related reactions
2 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
6810
As reactant
uspto-grants-2006_08
HRID
2127754
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
Loading…
More actions
Save
New note
New reaction
Request quotes