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CAS No.: | 10364-68-8 |
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Name: | Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-, |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C10H10N2O |
Molecular Weight: | 174.202 |
Synonyms: | 5-Ethyl-3-phenyl-1,2,4-oxadiazole; |
Density: | 1.111g/cm3 |
Boiling Point: | 294.8 °Cat760mmHg |
Flash Point: | 131.2 °C |
PSA: | 38.92000 |
LogP: | 2.29900 |
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This chemical is called 1,2,4-Oxadiazole,5-ethyl-3-phenyl-, and it's also named as Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-. With the molecular formula of C10H10N2O, its molecular weight is 174.199. The CAS registry number of this chemical is 10364-68-8.
Other characteristics of the 1,2,4-Oxadiazole,5-ethyl-3-phenyl- can be summarised as followings: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.64; (6)ACD/BCF (pH 7.4): 80.64; (7)ACD/KOC (pH 5.5): 805.99; (8)ACD/KOC (pH 7.4): 806; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.92 Å2; (13)Index of Refraction: 1.535; (14)Molar Refractivity: 48.87 cm3; (15)Molar Volume: 156.7 cm3; (16)Polarizability: 19.37×10-24cm3; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.111 g/cm3; (19)Flash Point: 131.2 °C; (20)Enthalpy of Vaporization: 51.31 kJ/mol; (21)Boiling Point: 294.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00278 mmHg at 25°C.
Production method of this chemical: The 1,2,4-Oxadiazole,5-ethyl-3-phenyl- could be obtained by the reactants of propionic acid anhydride and N-hydroxy-benzamidine. This reaction needs the reagent of diethyl ether.
You can still convert the following datas into molecular structure:
1.SMILES: n1c(onc1c2ccccc2)CC
2.InChI: InChI=1/C10H10N2O/c1-2-9-11-10(12-13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3
3.InChIKey: IWXUZMIVJPIVFM-UHFFFAOYAW