3-(4-Chlorophenyl)-5-(trifluoromethyl)isoxazole

HCID 799321
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Basic information

Standard SMILES
FC(F)(F)c1cc(-c2ccc(Cl)cc2)no1
InChIKey
SYHSLHSORXANMB-UHFFFAOYSA-N
Molecular formula
C10H5ClF3NO
Average molar mass
247.6 g/mol

Names & identifiers

Preferred name
3-(4-Chlorophenyl)-5-(trifluoromethyl)isoxazole
IUPAC
3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazole

Names & synonyms

3-(4-chlorophenyl)-5-(trifluoromethyl)isoxazole3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-oxazoleSCHEMBL2321001AKOS005225376ST0342803-(4-Chloro-phenyl)-5-trifluoromethyl-isoxazoleSR-01000487891SR-01000487891-1

Database identifiers

PubChem CID
799321

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
26 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
16

Related reactions

2 records
New reaction record

Compound notes

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3-(4-Chlorophenyl)-5-(trifluoromethyl)isoxazole (HCID 799321)｜Huagongshe