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819863-79-1 | 1,3,4-Oxadiazole, 2-[4-(1,1-dimethylethyl)phenyl]-5-(5-iodo-2-thienyl)-
CAS No: 819863-79-1 Catalog No: AG0054OC MDL No:
Product Description
Catalog Number:
AG0054OC
Chemical Name:
1,3,4-Oxadiazole, 2-[4-(1,1-dimethylethyl)phenyl]-5-(5-iodo-2-thienyl)-
CAS Number:
819863-79-1
Molecular Formula:
C16H15IN2OS
Molecular Weight:
410.2726
IUPAC Name:
2-(4-tert-butylphenyl)-5-(5-iodothiophen-2-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C16H15IN2OS/c1-16(2,3)11-6-4-10(5-7-11)14-18-19-15(20-14)12-8-9-13(17)21-12/h4-9H,1-3H3
InChI Key:
JAQCJFFBYFARLH-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)c1nnc(o1)c1ccc(s1)I)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.995g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.273g/mol
Monoisotopic Mass:
409.995g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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