82476-12-8

The CAS registry number of 1,3,4-Oxadiazole,2-(4-chlorophenyl)-5-methoxy- is 82476-12-8. This chemical's molecular formula is C₉H₇ClN₂O₂ and molecular weight is 210.6171. What's more, both its IUPAC name and systematic name are the same which is called 2-(4-Chlorophenyl)-5-methoxy-1,3,4-oxadiazole.

Physical properties about 1,3,4-Oxadiazole,2-(4-chlorophenyl)-5-methoxy- are: (1) ACD/LogP: 3.18; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.18; (4) ACD/LogD (pH 7.4): 3.18; (5) ACD/BCF (pH 5.5): 152.5; (6) ACD/BCF (pH 7.4): 152.5; (7) ACD/KOC (pH 5.5): 1271.72; (8) ACD/KOC (pH 7.4): 1271.72; (9) #H bond acceptors: 4; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 48.15 Å²; (13)Index of Refraction: 1.549; (14) Molar Refractivity: 50.9 cm³; (15) Molar Volume: 159.9 cm³; (16) Surface Tension: 45.5 dyne/cm; (17) Density: 1.317 g/cm³; (18) Flash Point: 140.7 °C; (19) Enthalpy of Vaporization: 52.79 kJ/mol; (20) Boiling Point: 309.1 °C at 760 mmHg; (21) Vapour Pressure: 0.00119 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(cc1)c2nnc(OC)o2
(2) InChI: InChI=1/C9H7ClN2O2/c1-13-9-12-11-8(14-9)6-2-4-7(10)5-3-6/h2-5H,1H3
(3) InChIKey: ZFMXLEKTIPSDTG-UHFFFAOYAN