2-Chloro-4,5-difluoro-alpha-oxobenzenepropanoic acid ethyl ester

HCID 53662473
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Basic information

Standard SMILES
CCOC(=O)C(=O)Cc1cc(F)c(F)cc1Cl
InChIKey
AUGROYUPNBHCPU-UHFFFAOYSA-N
Molecular formula
C11H9ClF2O3
Average molar mass
262.63 g/mol
Monoisotopic mass
262.0208282

Names & identifiers

Preferred name
2-Chloro-4,5-difluoro-alpha-oxobenzenepropanoic acid ethyl ester
IUPAC
ethyl 3-(2-chloro-4,5-difluorophenyl)-2-oxopropanoate

Names & synonyms

SCHEMBL9380950AUGROYUPNBHCPU-UHFFFAOYSA-N2-Chloro-4,5-difluoro-alpha-oxo-benzenepropanoic acid ethyl ester2-Chloro-4,5-difluoro-alpha-oxobenzenepropanoic acid ethyl ester

Database identifiers

PubChem CID
53662473

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
17

Related reactions

4 records
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Compound notes

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