1,1'-Biphenyl,4-ethyl-4'-iodo- (17078-76-1)

The 4-Ethyl-4'-iodobiphenyl with the CAS number 17078-76-1 is also called 1,1'-Biphenyl,4-ethyl-4'-iodo-. Its molecular formula is C₁₄H₁₃I. The product category is Biphenyl & Diphenyl ether. This chemical should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 6.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.17; (4)ACD/LogD (pH 7.4): 6.17; (5)ACD/BCF (pH 5.5): 28677.98; (6)ACD/BCF (pH 7.4): 28677.98; (7)ACD/KOC (pH 5.5): 53988.08; (8)ACD/KOC (pH 7.4): 53988.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 73.3 cm³; (14)Molar Volume: 209.6 cm³; (15)Polarizability: 29.05×10^-24cm³; (16)Surface Tension: 41.7 dyne/cm; (17)Enthalpy of Vaporization: 56.83 kJ/mol; (18)Vapour Pressure: 0.000108 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)c2ccc(CC)cc2
(2)InChI: InChI=1/C14H13I/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2H2,1H3
(3)InChIKey: DUQFCMVIJVWQMX-UHFFFAOYAB