Ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate (951885-31-7)

The Ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate, with the CAS registry number 951885-31-7, belongs to the product categories of Blocks; Carboxes; Oxazoles. This chemical's molecular formula is C₁₂H₉Cl₂NO₃ and molecular weight is 286.1. Its systematic name is called ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate.

Physical properties about Ethyl 5-(2,3-dichlorophenyl)oxazole-4-carboxylate are: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.76; (4)ACD/LogD (pH 7.4): 2.76; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 52.33 Å²; (9)Index of Refraction: 1.558; (10)Molar Refractivity: 67.43 cm³; (11)Molar Volume: 209 cm³; (12)Surface Tension: 46.2 dyne/cm; (13)Density: 1.368 g/cm³; (14)Flash Point: 198.9 °C; (15)Enthalpy of Vaporization: 65.68 kJ/mol; (16)Boiling Point: 405.2 °C at 760 mmHg; (17)Vapour Pressure: 8.92E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c(ocn1)c2cccc(c2Cl)Cl
(2)InChI: InChI=1/C12H9Cl2NO3/c1-2-17-12(16)10-11(18-6-15-10)7-4-3-5-8(13)9(7)14/h3-6H,2H2,1H3
(3)InChIKey: AJTQIRIQDDBKNL-UHFFFAOYAN