Ethyl 3-(2-chloro-4-iodo-phenyl)-3-oxo-propionate

HCID 19081721

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)CC(=O)c1ccc(I)cc1Cl
InChIKey: AHZNSOBGCYGRCX-UHFFFAOYSA-N
Molecular formula: C11H10ClIO3
Average molar mass: 352.55 g/mol

Names & identifiers

Preferred name: Ethyl 3-(2-chloro-4-iodo-phenyl)-3-oxo-propionate
IUPAC: ethyl 3-(2-chloro-4-iodophenyl)-3-oxopropanoate

Names & synonyms

ethyl 3-(2-chloro-4-iodophenyl)-3-oxopropanoateethyl 3-(2-chloro-4-iodo-phenyl)-3-oxo-propionateSCHEMBL7127425AHZNSOBGCYGRCX-UHFFFAOYSA-NA1-319903-(2-Chloro-4-iodo-phenyl)-3-oxo-propionic acid ethyl ester

Database identifiers

PubChem CID: 19081721

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 270

Related reactions

4 records

New reaction record

HRID 695666As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 963399As productuspto-grants-1998_06

HRID 963400As reactantuspto-grants-1998_06

HRID 1218681As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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