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89804-66-0

89804-66-0 | 1,2,4-Oxadiazole, 3-phenyl-5-[4-(trifluoromethyl)phenyl]-

CAS No: 89804-66-0 Catalog No: AG003YAL MDL No:

Product Description

Catalog Number:
AG003YAL
Chemical Name:
1,2,4-Oxadiazole, 3-phenyl-5-[4-(trifluoromethyl)phenyl]-
CAS Number:
89804-66-0
Molecular Formula:
C15H9F3N2O
Molecular Weight:
290.2400
IUPAC Name:
3-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C15H9F3N2O/c16-15(17,18)12-8-6-11(7-9-12)14-19-13(20-21-14)10-4-2-1-3-5-10/h1-9H
InChI Key:
JFJJBJKKRQTYSD-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)c1onc(n1)c1ccccc1)(F)F

Properties

Complexity:
336  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.067g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.245g/mol
Monoisotopic Mass:
290.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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