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2',4',6'-Triiodo-4-methylbiphenyl (HCID 22341995)|Huagongshe
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Compound
2',4',6'-Triiodo-4-methylbiphenyl
HCID
22341995
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1ccc(-c2c(I)cc(I)cc2I)cc1
InChIKey
LSGCYDKPVXYTLQ-UHFFFAOYSA-N
Molecular formula
C13H9I3
Average molar mass
545.92 g/mol
Names & identifiers
Preferred name
2',4',6'-Triiodo-4-methylbiphenyl
IUPAC
1,3,5-triiodo-2-(4-methylphenyl)benzene
Names & synonyms
SCHEMBL2339050
LSGCYDKPVXYTLQ-UHFFFAOYSA-N
2',4',6'-triiodo-4-methylbiphenyl
Database identifiers
PubChem CID
22341995
Properties
Computed structural properties
XLogP
5.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
211
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Related reactions
4 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
116205
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
583731
As reactant
uspto-grants-2005_08
HRID
583736
As reactant
uspto-grants-2005_08
HRID
1200447
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Compound notes
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