1,1'-Biphenyl,4-bromo-4'-ethyl- (58743-79-6)

The 4-Bromo-4'-ethylbiphenyl with the CAS number 58743-79-6 is also called 1,1'-Biphenyl,4-bromo-4'-ethyl-. Its molecular formula is C₁₄H₁₃Br. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.87; (4)ACD/LogD (pH 7.4): 5.87; (5)ACD/BCF (pH 5.5): 17068.63; (6)ACD/BCF (pH 7.4): 17068.63; (7)ACD/KOC (pH 5.5): 37238.73; (8)ACD/KOC (pH 7.4): 37238.73; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 68.08 cm³; (15)Molar Volume: 203.7 cm³; (16)Polarizability: 26.99×10^-24cm³; (17)Surface Tension: 38.5 dyne/cm; (18)Enthalpy of Vaporization: 55.5 kJ/mol; (19)Vapour Pressure: 0.000241 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)c2ccc(CC)cc2
(2)InChI: InChI=1/C14H13Br/c1-2-11-3-5-12(6-4-11)13-7-9-14(15)10-8-13/h3-10H,2H2,1H3
(3)InChIKey: OARBGVNQCYYPKT-UHFFFAOYAR