2',4',6'-Triiodo-3',5'-bis(ethyl)-3-nitrobiphenyl-4-carboxylic acid

HCID 22342005
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Basic information

Standard SMILES
CCc1c(I)c(CC)c(I)c(-c2ccc(C(=O)O)c([N+](=O)[O-])c2)c1I
InChIKey
ZQGBNFRFZQUFMD-UHFFFAOYSA-N
Molecular formula
C17H14I3NO4
Average molar mass
677.01 g/mol

Names & identifiers

Preferred name
2',4',6'-Triiodo-3',5'-bis(ethyl)-3-nitrobiphenyl-4-carboxylic acid
IUPAC
4-(3,5-diethyl-2,4,6-triiodophenyl)-2-nitrobenzoic acid

Names & synonyms

SCHEMBL2335136ZQGBNFRFZQUFMD-UHFFFAOYSA-N2',4',6'-triiodo-3',5'-bis(ethyl)-3-nitrobiphenyl-4-carboxylic acid

Database identifiers

PubChem CID
22342005

Properties

Computed structural properties

XLogP
6.4
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
25

Related reactions

5 records
New reaction record

Compound notes

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