4-Oxazolecarboxylicacid, 5-(4-chlorophenyl)-, ethyl ester (127919-28-2)

The Ethyl 5-(4-chlorophenyl)oxazole-4-carboxylate, with the CAS registry number 127919-28-2, belongs to the product categories of Blocks; Carboxes; Oxazoles. This chemical's molecular formula is C₁₂H₁₀ClNO₃ and molecular weight is 251.67. Its systematic name is called ethyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate.

Physical properties of Ethyl 5-(4-chlorophenyl)oxazole-4-carboxylate: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.72; (6)ACD/BCF (pH 7.4): 39.72; (7)ACD/KOC (pH 5.5): 485.49; (8)ACD/KOC (pH 7.4): 485.49; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.547; (13)Molar Refractivity: 62.53 cm³; (14)Molar Volume: 197 cm³; (15)Surface Tension: 44.5 dyne/cm; (16)Density: 1.276 g/cm³; (17)Flash Point: 189.9 °C; (18)Enthalpy of Vaporization: 63.99 kJ/mol; (19)Boiling Point: 390.4 °C at 760 mmHg; (20)Vapour Pressure: 2.66E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c2ncoc2c1ccc(Cl)cc1
(2)InChI: InChI=1/C12H10ClNO3/c1-2-16-12(15)10-11(17-7-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
(3)InChIKey: XAZCYGPJBWGQBW-UHFFFAOYAZ