4-(2-Chloroethoxy)-5-methoxy-2-nitrobenzaldehyde (348618-75-7)

The 4-(2-Chloroethoxy)-5-methoxy-2-nitrobenzaldehyde, with the cas registry number 348618-75-7, is a kind of organics. And the molecular formula of the chemical is C₁₀H₁₀ClNO₅.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 60; (6)ACD/BCF (pH 7.4): 60; (7)ACD/KOC (pH 5.5): 651; (8)ACD/KOC (pH 7.4): 651; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 81.35 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 62.39 cm³; (15)Molar Volume: 188.837 cm³; (16)Polarizability: 24.733×10^-24cm³; (17)Surface Tension: 48.908 dyne/cm; (18)Density: 1.375 g/cm³; (19)Flash Point: 227.221 °C; (20)Enthalpy of Vaporization: 71.126 kJ/mol; (21)Boiling Point: 452.098 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=N(=O)c1cc(OCCCl)c(cc1C=O)OC
(2)InChI: InChI=1/C10H10ClNO5/c1-16-9-4-7(6-13)8(12(14)15)5-10(9)17-3-2-11/h4-6H,2-3H2,1H3
(3)InChIKey: IXMWLBHKAMOOEB-UHFFFAOYAK