3-(3-Bromoprop-1-ynyl)-5-phenyl-4-(trifluoromethyl)isoxazole

HCID 67167391
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Basic information

Standard SMILES
FC(F)(F)c1c(C#CCBr)noc1-c1ccccc1
InChIKey
XKJAQKPVBREXAX-UHFFFAOYSA-N
Molecular formula
C13H7BrF3NO
Average molar mass
330.1 g/mol

Names & identifiers

Preferred name
3-(3-Bromoprop-1-ynyl)-5-phenyl-4-(trifluoromethyl)isoxazole
IUPAC
3-(3-bromoprop-1-ynyl)-5-phenyl-4-(trifluoromethyl)-1,2-oxazole

Names & synonyms

3-(3-bromoprop-1-ynyl)-5-phenyl-4-(trifluoromethyl)isoxazoleSCHEMBL1804746

Database identifiers

PubChem CID
67167391

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
26 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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