Benzofuran,5-chloro-2-ethyl- (39178-59-1)

The 5-Chloro-2-ethylbenzofuran, with the CAS registry number 39178-59-1, is also known as 2-Ethyl-5-chlorobenzofuran. It belongs to the product categories of Heterocycles; Heterocyclic Compound. This chemical's molecular formula is C₁₀H₉ClO and molecular weight is 180.63. Its IUPAC name and systematic name are the same which is called 5-chloro-2-ethyl-1-benzofuran.

Physical properties of 5-Chloro-2-ethylbenzofuran: (1)ACD/LogP: 4.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.26; (4)ACD/LogD (pH 7.4): 4.26; (5)ACD/BCF (pH 5.5): 1011.43; (6)ACD/BCF (pH 7.4): 1011.43; (7)ACD/KOC (pH 5.5): 4926.44; (8)ACD/KOC (pH 7.4): 4926.44; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 13.14 Å²; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 50.83 cm³; (15)Molar Volume: 151.1 cm³; (16)Surface Tension: 38.9 dyne/cm; (17)Density: 1.195 g/cm³; (18)Flash Point: 103.6 °C; (19)Enthalpy of Vaporization: 46.53 kJ/mol; (20)Boiling Point: 247.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0397 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2cc(CC)oc2cc1
(2)InChI: InChI=1/C10H9ClO/c1-2-9-6-7-5-8(11)3-4-10(7)12-9/h3-6H,2H2,1H3
(3)InChIKey: AKSTZTXWHQYVDW-UHFFFAOYAU