Ethyl 5-(3-fluorobenzyl)isoxazole-3-carboxylate

HCID 66831768
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Basic information

Standard SMILES
CCOC(=O)c1cc(Cc2cccc(F)c2)on1
InChIKey
CPVRZLLJPSHCJA-UHFFFAOYSA-N
Molecular formula
C13H12FNO3
Average molar mass
249.24 g/mol

Names & identifiers

Preferred name
Ethyl 5-(3-fluorobenzyl)isoxazole-3-carboxylate
IUPAC
ethyl 5-[(3-fluorophenyl)methyl]-1,2-oxazole-3-carboxylate

Names & synonyms

SCHEMBL892112CPVRZLLJPSHCJA-UHFFFAOYSA-Nethyl 5-(3-fluorobenzyl)isoxazole-3-carboxylate

Database identifiers

PubChem CID
66831768

Properties

Computed structural properties

XLogP
3
Topological polar surface area
52.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
18

Related reactions

5 records
New reaction record

Compound notes

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