4-Methoxycarbonyl-5-phenyl-3-(2-chloro-6-fluorophenyl)isoxazole

HCID 18756282
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Basic information

Standard SMILES
COC(=O)c1c(-c2c(F)cccc2Cl)noc1-c1ccccc1
InChIKey
NOABOVWCPRZNPB-UHFFFAOYSA-N
Molecular formula
C17H11ClFNO3
Average molar mass
331.7 g/mol

Names & identifiers

Preferred name
4-Methoxycarbonyl-5-phenyl-3-(2-chloro-6-fluorophenyl)isoxazole
IUPAC
methyl 3-(2-chloro-6-fluorophenyl)-5-phenyl-1,2-oxazole-4-carboxylate

Names & synonyms

SCHEMBL5777104NOABOVWCPRZNPB-UHFFFAOYSA-NDB-0868044-Methoxycarbonyl-5-phenyl-3-(2-chloro-6-fluorophenyl)isoxazole334971-33-4

Database identifiers

PubChem CID
18756282

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
52.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

3 records
New reaction record

Compound notes

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