NTP 10th Report on Carcinogens, 2000: Reasonably anticipated to be human carcinogen

The CAS registry number of Bromkal 80 is 61288-13-9. The IUPAC name is 2,2',3,3',4,4',5,5'-octabromobiphenyl. It is also called 1,1'-biphenyl, 2,2',3,3',4,4',5,5'-octabromo-. In addition, the formula is C₁₂H₂Br₈ and the molecular weight is 785.37628.

Physical properties about this chemical are: (1)ACD/LogP: 8.70; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.7; (4)ACD/LogD (pH 7.4): 8.7; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1292737.25; (8)ACD/KOC (pH 7.4): 1292737.25; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 112.36 cm³; (15)Molar Volume: 284.1 cm³; (16)Polarizability: 44.54 ×10^-24cm³; (17)Surface Tension: 58 dyne/cm; (18)Density: 2.763 g/cm³; (19)Flash Point: 265.4 °C; (20)Enthalpy of Vaporization: 77.88 kJ/mol; (21)Boiling Point: 533.3 °C at 760 mmHg; (22)Vapour Pressure: 6.49E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1c(cc(Br)c(Br)c1Br)c2cc(Br)c(Br)c(Br)c2Br
(2)InChI: InChI=1/C12H2Br8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H
(3)InChIKey: HHYHNDNRLUQCEG-UHFFFAOYAR