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Ethyl 3-[3,4-difluoro-5-(oxiran-2-yl)phenyl]pentanoate

HCID 76548877
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)CC(CC)c1cc(F)c(F)c(C2CO2)c1
InChIKey
NLOHDFCHOMVRNF-UHFFFAOYSA-N
Molecular formula
C15H18F2O3
Average molar mass
284.3 g/mol

Names & identifiers

Preferred name
Ethyl 3-[3,4-difluoro-5-(oxiran-2-yl)phenyl]pentanoate
IUPAC
ethyl 3-[3,4-difluoro-5-(oxiran-2-yl)phenyl]pentanoate

Names & synonyms

SCHEMBL3803591

Database identifiers

PubChem CID
76548877

Properties

Computed structural propertiesFilling in

XLogP
2.9
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
20
Formal charge
0
Complexity
337

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Related reactions

2 records
New reaction record
HRID 104426 reaction equation
HRID 104426As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 695647 reaction equation
HRID 695647As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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