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2-chloro-4-ethyl-6-nitroQuinoline

HCID 22018954
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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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-nitroQuinoline178481-19-1SCHEMBL5873698TYMCMGIGMTUNOS-UHFFFAOYSA-NDA-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

Related reactions

2 records
New reaction record
HRID 6810 reaction equation
HRID 6810As reactantuspto-grants-2006_08
HRID 2127754 reaction equation
HRID 2127754As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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