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Home > Fluorides > 100945-61-7
100945-61-7 | 1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-(3-fluorophenyl)-
CAS No: 100945-61-7 Catalog No: AG0003A4 MDL No:
Product Description
Catalog Number:
AG0003A4
Chemical Name:
1,3,4-Oxadiazole, 2-[1,1'-biphenyl]-4-yl-5-(3-fluorophenyl)-
CAS Number:
100945-61-7
Molecular Formula:
C20H13FN2O
Molecular Weight:
316.3284
IUPAC Name:
2-(3-fluorophenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C20H13FN2O/c21-18-8-4-7-17(13-18)20-23-22-19(24-20)16-11-9-15(10-12-16)14-5-2-1-3-6-14/h1-13H
InChI Key:
PISZQLMCSCMOST-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)c1nnc(o1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.101g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.335g/mol
Monoisotopic Mass:
316.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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