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827332-78-5

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Basic Information
CAS No.: 827332-78-5
Name: 3-(2-Bromophenyl)-5-phenyl-1,2,4-oxadiazole
Article Data: 3
Molecular Structure:
Molecular Structure of 827332-78-5 (3-(2-Bromophenyl)-5-phenyl-1,2,4-oxadiazole)
Formula: C14H9BrN2O
Molecular Weight: 301.142
Synonyms: 3-(2-Bromophenyl)-5-phenyl-1,2,4-oxadiazole;
Density: 1.465 g/cm3
Boiling Point: 428.8 °C at 760 mmHg
Flash Point: 213.1 °C
PSA: 38.92000
LogP: 4.16610
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Specification

The CAS registry number of 827332-78-5 is called 5-Benzyl-3-(2-bromophenyl)-1,2,4-oxadiazole. The IUPAC name is 3-(2-bromophenyl)-5-phenyl-1,2,4-oxadiazole. In addition, the formula is C14H9BrN2O and the molecular weight is 301.1381.

Physical properties about this chemical are: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0 ; (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: 1.614; (8)Molar Refractivity: 71.6 cm3; (9)Molar Volume: 205.4 cm3; (10)Polarizability: 28.38 ×10-24cm3; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.465 g/cm3; (13)Flash Point: 213.1 °C; (14)Enthalpy of Vaporization: 65.76 kJ/mol ; (15)Boiling Point: 428.8 °C at 760 mmHg; (16)Vapour Pressure: 3.68E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccccc1c2nc(on2)c3ccccc3
(2)InChI: InChI=1/C14H9BrN2O/c15-12-9-5-4-8-11(12)13-16-14(18-17-13)10-6-2-1-3-7-10/h1-9H
(3)InChIKey: YNEFEUXUIWJXNR-UHFFFAOYAM