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2-Methyl-4-phenoxy-8-bromo-quinoline (HCID 18317815)|Huagongshe
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Compound
2-Methyl-4-phenoxy-8-bromo-quinoline
HCID
18317815
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Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
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Basic information
Standard SMILES
Cc1cc(Oc2ccccc2)c2cccc(Br)c2n1
InChIKey
WZNFAOFKDSUNFV-UHFFFAOYSA-N
Molecular formula
C16H12BrNO
Average molar mass
314.18 g/mol
Names & identifiers
Preferred name
2-Methyl-4-phenoxy-8-bromo-quinoline
IUPAC
8-bromo-2-methyl-4-phenoxyquinoline
Names & synonyms
SCHEMBL7684275
WZNFAOFKDSUNFV-UHFFFAOYSA-N
2-methyl-4-phenoxy-8-bromo-quinoline
Database identifiers
PubChem CID
18317815
Properties
Computed structural properties
XLogP
4.8
Topological polar surface area
22.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Formal charge
0
Complexity
292
Show all 8
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Related reactions
4 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
1118061
As product
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1700114
As product
uspto-grants-2002_02
HRID
1700115
As reactant
uspto-grants-2002_02
HRID
2130566
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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