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

HCID 76548873
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)CCc1cc(F)c(F)c(C2CO2)c1
InChIKey
ONDNGMVHAZOTMV-UHFFFAOYSA-N
Molecular formula
C13H14F2O3
Average molar mass
256.24 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL3797922

Database identifiers

PubChem CID
76548873

Properties

Computed structural propertiesFilling in

XLogP
2
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
298

Related reactions

2 records
New reaction record
HRID 176393 reaction equation
HRID 176393As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2338127 reaction equation
HRID 2338127As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes