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89804-67-1 | 1,2,4-Oxadiazole, 3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-
CAS No: 89804-67-1 Catalog No: AG003YAK MDL No:
Product Description
Catalog Number:
AG003YAK
Chemical Name:
1,2,4-Oxadiazole, 3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-
CAS Number:
89804-67-1
Molecular Formula:
C16H11F3N2O2
Molecular Weight:
320.2659
IUPAC Name:
3-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C16H11F3N2O2/c1-22-13-8-4-10(5-9-13)14-20-15(23-21-14)11-2-6-12(7-3-11)16(17,18)19/h2-9H,1H3
InChI Key:
ITENDZCTJJDOBW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(n1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.077g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.271g/mol
Monoisotopic Mass:
320.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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