Ethyl 5,7-dichloro-1H-indole-2-carboxylate (4792-70-5)

The Ethyl 5,7-dichloro-1H-indole-2-carboxylate with the cas number 4792-70-5 is also called 1H-indole-2-carboxylic acid, 5,7-dichloro-, ethyl ester. Its molecular formula is C₁₁H₉Cl₂NO₂. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 5.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 3741.42; (6)ACD/BCF (pH 7.4): 3741.39; (7)ACD/KOC (pH 5.5): 12565.31; (8)ACD/KOC (pH 7.4): 12565.21; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 64.72 cm³; (15)Molar Volume: 180.1 cm³; (16)Polarizability: 25.65×10^-24cm³; (17)Surface Tension: 53.4 dyne/cm; (18)Enthalpy of Vaporization: 65.65 kJ/mol; (19)Vapour Pressure: 9.06×10^-7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(c(Cl)c1)nc(c2)C(=O)OCC
(2)InChI: InChI=1/C11H9Cl2NO2/c1-2-16-11(15)9-4-6-3-7(12)5-8(13)10(6)14-9/h3-5,14H,2H2,1H3
(3)InChIKey: CJYGKZGQACYLTI-UHFFFAOYAZ