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3-(4-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

3-(4-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

CAS: 694521-68-1

Formula: C14H8BrFN2O

SMILES: FC1=CC=C(C=C1)C1=NC(=NO1)C1=CC=C(Br)C=C1

IUPAC: 3-(4-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

InChI: InChI=1S/C14H8BrFN2O/c15-11-5-1-9(2-6-11)13-17-14(19-18-13)10-3-7-12(16)8-4-10/h1-8H

Composition: C (52.69%), H (2.53%), Br (25.04%), F (5.95%), N (8.78%), O (5.01%)

Molar Mass: 319.133

Atom Count: 27

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 317.980404
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FOIRBPRSTFCJHD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 95.03
Topological Polar Surface Area 38.92
Polarizability 28.43
Ring Count 3
Rotatable Bond Count 2

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