This chemical is called 4-Bromo-p-terphenyl, and its CAS registry number is 1762-84-1. With the molecular formula of C18H13Br, its molecular weight is 309.20.
Other characteristics of the 4-Bromo-p-terphenyl can be summarised as followings: (1)ACD/LogP: 6.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.54; (4)ACD/LogD (pH 7.4): 6.54; (5)ACD/BCF (pH 5.5): 54744.25; (6)ACD/BCF (pH 7.4): 54744.25; (7)ACD/KOC (pH 5.5): 85759.91; (8)ACD/KOC (pH 7.4): 85759.91; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)Index of Refraction: 1.621; (12)Molar Refractivity: 83.12 cm3; (13)Molar Volume: 236.1 cm3; (14)Polarizability: 32.95×10-24cm3; (15)Surface Tension: 42.9 dyne/cm; (16)Density: 1.309 g/cm3; (17)Flash Point: 217.7 °C; (18)Enthalpy of Vaporization: 67.23 kJ/mol; (19)Boiling Point: 441.9 °C at 760 mmHg; (20)Vapour Pressure: 1.37E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1ccc(cc1)c2ccc(cc2)c3ccccc3
2.InChI: InChI=1/C18H13Br/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
3.InChIKey: XNBGHWRYLJOQAU-UHFFFAOYAK
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