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694521-68-1

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Basic Information
CAS No.: 694521-68-1
Name: 3-(4-Bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
Molecular Structure:
Molecular Structure of 694521-68-1 (3-(4-Bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole)
Formula: C14H8BrFN2O
Molecular Weight: 319.133
Synonyms: 3-(4-BROMOPHENYL)-5-(4-FLUOROPHENYL)-1,2,4-OXADIAZOLE
EINECS: 319.1
Density: 1.522g/cm3
Boiling Point: 413.4 °C at 760 mmHg
Flash Point: 203.8 °C
PSA: 38.92000
LogP: 4.30520
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Specification

The 3-(4-Bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole, with CAS registry number 694521-68-1, has the systematic name of 3-(4-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole. Besides this, it is also called 1,2,4-oxadiazole, 3-(4-bromophenyl)-5-(4-fluorophenyl)-. And the chemical formula of this chemical is C14H8BrFN2O.

Physical properties of 3-(4-Bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole: (1)ACD/LogP: 5.31; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 38.92 Å2; (7)Index of Refraction: 1.598; (8)Molar Refractivity: 71.6 cm3; (9)Molar Volume: 209.6 cm3; (10)Polarizability: 28.38×10-24cm3; (11)Surface Tension: 48.7 dyne/cm; (12)Density: 1.522 g/cm3; (13)Flash Point: 203.8 °C; (14)Enthalpy of Vaporization: 64.03 kJ/mol; (15)Boiling Point: 413.4 °C at 760 mmHg; (16)Vapour Pressure: 1.15E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc3ccc(c1nc(no1)c2ccc(Br)cc2)cc3
(2)InChI: InChI=1/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
(3)InChIKey: FOIRBPRSTFCJHD-UHFFFAOYAT
(4)Std. 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
(5)Std. InChIKey: FOIRBPRSTFCJHD-UHFFFAOYSA-N