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1580-50-3 | 1,3,4-Oxadiazole, 2-(4-fluorophenyl)-5-phenyl-
CAS No: 1580-50-3 Catalog No: AG001PW9 MDL No:
Product Description
Catalog Number:
AG001PW9
Chemical Name:
1,3,4-Oxadiazole, 2-(4-fluorophenyl)-5-phenyl-
CAS Number:
1580-50-3
Molecular Formula:
C14H9FN2O
Molecular Weight:
240.2325
IUPAC Name:
2-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C14H9FN2O/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
InChI Key:
QHKMUJVIGDJRLU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nnc(o1)c1ccccc1
EC Number:
216-425-1
NSC Number:
90364
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.237g/mol
Monoisotopic Mass:
240.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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