4-Oxazolecarboxylicacid, 5-(4-chlorophenyl)- (143659-14-7)

The 5-(4-Chlorophenyl)oxazole-4-carboxylic acid, with the cas registry number 143659-14-7, has the systematic name of 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylic acid. It belongs to the following product categories: Blocks; Carboxes; Oxazoles. And the molecular formula of the chemical is C₁₀H₆ClNO₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -1.66; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.33 Å²; (13)Index of Refraction: 1.599; (14)Molar Refractivity: 53.06 cm³; (15)Molar Volume: 155.2 cm³; (16)Polarizability: 21.03×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 184.6 °C; (20)Enthalpy of Vaporization: 66.44 kJ/mol; (21)Boiling Point: 381.5 °C at 760 mmHg; (22)Vapour Pressure: 1.67E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c2ncoc2c1ccc(Cl)cc1
(2)InChI: InChI=1/C10H6ClNO3/c11-7-3-1-6(2-4-7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
(3)InChIKey: WGPXKQGURSURNU-UHFFFAOYAU