5-Thiazolecarboxylicacid, 2-chloro-, ethyl ester (81449-93-6)

The CAS register number of Ethyl 2-chlorothiazole-5-carboxylate is 81449-93-6. It also can be called as 5-Thiazolecarboxylicacid, 2-chloro-, ethyl ester and the systematic name about this chemical is ethyl 2-chloro-1,3-thiazole-5-carboxylate.

Physical properties about Ethyl 2-chlorothiazole-5-carboxylate are: (1)ACD/LogP: 1.50; (2)ACD/LogD (pH 5.5): 1.5; (3)ACD/LogD (pH 7.4): 1.5; (4)ACD/BCF (pH 5.5): 8.11; (5)ACD/BCF (pH 7.4): 8.11; (6)ACD/KOC (pH 5.5): 155.65; (7)ACD/KOC (pH 7.4): 155.65; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.43Ų; (11)Index of Refraction: 1.548; (12)Molar Refractivity: 44.02 cm³; (13)Molar Volume: 138.4 cm³; (14)Polarizability: 17.45x10^-24cm³; (15)Surface Tension: 48.2 dyne/cm; (16)Enthalpy of Vaporization: 52.29 kJ/mol; (17)Boiling Point: 283.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00307 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1cnc(Cl)s1
(2)InChI: InChI=1/C6H6ClNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
(3)InChIKey: IZIJOEOJKFKHQR-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H6ClNO2S/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3
(5)Std. InChIKey: IZIJOEOJKFKHQR-UHFFFAOYSA-N