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Compound
7-Chloro-2-[2-(3-methoxyphenyl)ethenyl]quinoline
HCID
54097970
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
COc1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIKey
MYMOSEZOPQPNCP-UHFFFAOYSA-N
Molecular formula
C18H14ClNO
Average molar mass
295.8 g/mol
Names & identifiers
Preferred name
7-Chloro-2-[2-(3-methoxyphenyl)ethenyl]quinoline
IUPAC
7-chloro-2-[2-(3-methoxyphenyl)ethenyl]quinoline
Names & synonyms
SCHEMBL10402153
Database identifiers
PubChem CID
54097970
Properties
Computed structural properties
XLogP
5.1
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Formal charge
0
Complexity
359
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
166105
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
1218332
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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7-Chloro-2-[2-(3-methoxyphenyl)ethenyl]quinoline (HCID 54097970)|Huagongshe