2',4',6'-Triiodo-3',5'-bis(ethyl)-3-nitrobiphenyl-4-carbonyl chloride

HCID 22342002
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1c(I)c(CC)c(I)c(-c2ccc(C(=O)Cl)c([N+](=O)[O-])c2)c1I
InChIKey
QALWCSTVXDTLKT-UHFFFAOYSA-N
Molecular formula
C17H13ClI3NO3
Average molar mass
695.5 g/mol
Monoisotopic mass
694.7718

Names & identifiers

Preferred name
2',4',6'-Triiodo-3',5'-bis(ethyl)-3-nitrobiphenyl-4-carbonyl chloride
IUPAC
4-(3,5-diethyl-2,4,6-triiodophenyl)-2-nitrobenzoyl chloride

Names & synonyms

SCHEMBL2332630QALWCSTVXDTLKT-UHFFFAOYSA-N2',4',6'-triiodo-3',5'-bis(ethyl)-3-nitrobiphenyl-4-carbonyl chloride

Database identifiers

PubChem CID
22342002

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
62.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
25

Related reactions

6 records
New reaction record

Linked notes

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