3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole (5373-86-4)

The CAS register number of 3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole is 5373-86-4. The systematic name about this chemical is 3-(4-methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole. The molecular formula about this chemical is C₁₀H₇Cl₃N₂O and molecular weight is 277.53.

Physical properties about 3-(4-Methylphenyl)-5-(trichloromethyl)-1,2,4-oxadiazole are: (1)ACD/LogP: 4.68; (2)ACD/LogD (pH 5.5): 4.68; (3)ACD/LogD (pH 7.4): 4.68; (4)ACD/BCF (pH 5.5): 2108.89; (5)ACD/BCF (pH 7.4): 2108.89; (6)ACD/KOC (pH 5.5): 8335.93; (7)ACD/KOC (pH 7.4): 8335.93; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 38.92Ų; (11)Index of Refraction: 1.573; (12)Molar Refractivity: 63.18 cm³; (13)Molar Volume: 191.5 cm³; (14)Polarizability: 25.04x10^-24cm³; (15)Surface Tension: 48.1 dyne/cm; (16)Enthalpy of Vaporization: 54.65 kJ/mol; (17)Boiling Point: 326.8 °C at 760 mmHg; (18)Vapour Pressure: 0.0004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)c1nc(no1)c2ccc(cc2)C
(2)InChI: InChI=1/C10H7Cl3N2O/c1-6-2-4-7(5-3-6)8-14-9(16-15-8)10(11,12)13/h2-5H,1H3
(3)InChIKey: VBPKDZSGMVLXEN-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C10H7Cl3N2O/c1-6-2-4-7(5-3-6)8-14-9(16-15-8)10(11,12)13/h2-5H,1H3
(5)Std. InChIKey: VBPKDZSGMVLXEN-UHFFFAOYSA-N