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CAS No.: | 1874-47-1 |
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Name: | 2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole |
Article Data: | 54 |
Molecular Structure: | |
Formula: | C15H12N2O |
Molecular Weight: | 236.273 |
Synonyms: | 1,3,4-oxadiazole, 2-(4-methylphenyl)-5-phenyl-; 2-Phenyl-5-p-tolyl-[1,3,4]oxadiazole |
Density: | 1.149 g/cm3 |
Boiling Point: | 389 °C at 760 mmHg |
Flash Point: | 186 °C |
PSA: | 38.92000 |
LogP: | 3.71200 |
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This chemical is called 2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole, and it's also named as 1,3,4-oxadiazole, 2-(4-methylphenyl)-5-phenyl-. With the molecular formula of C15H12N2O, its molecular weight is . The CAS registry number of this chemical is 236.2686.
Other characteristics of the 2-(4-Methylphenyl)-5-phenyl-1,3,4-oxadiazole can be summarised as followings: (1)ACD/LogP: 4.61; (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: 1.583; (8)Molar Refractivity: 68.74 cm3; (9)Molar Volume: 205.5 cm3; (10)Polarizability: 27.25×10-24cm3; (11)Surface Tension: 45.5 dyne/cm; (12)Density: 1.149 g/cm3; (13)Flash Point: 186 °C; (14)Enthalpy of Vaporization: 61.33 kJ/mol; (15)Boiling Point: 389 °C at 760 mmHg; (16)Vapour Pressure: 6.6E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: n1nc(oc1c2ccccc2)c3ccc(cc3)C
2.InChI: InChI=1/C15H12N2O/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-10H,1H3
3.InChIKey: UHQIKTAVLMIABA-UHFFFAOYAM