4'-Bromo-[1,1'-biphenyl]-4-carboxaldehyde (50670-58-1)

The 4'-Bromo-[1,1'-biphenyl]-4-carboxaldehyde, with CAS registry number 50670-58-1, has the systematic name of 4'-bromobiphenyl-4-carbaldehyde.

Physical properties about this chemical are: (1)ACD/LogP: 4.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.73; (4)ACD/LogD (pH 7.4): 4.73; (5)ACD/BCF (pH 5.5): 2322.68; (6)ACD/BCF (pH 7.4): 2322.68; (7)ACD/KOC (pH 5.5): 8932.46; (8)ACD/KOC (pH 7.4): 8932.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 65.28 cm³; (15)Molar Volume: 182.5 cm³; (16)Polarizability: 25.88×10^-24cm³; (17)Surface Tension: 46.2 dyne/cm; (18)Enthalpy of Vaporization: 62.15 kJ/mol; (19)Vapour Pressure: 8.53E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(c1ccc(C=O)cc1)cc2
(2)InChI: InChI=1/C13H9BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
(3)InChIKey: AZDGDDGUHUQQMO-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H9BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
(5)Std. InChIKey: AZDGDDGUHUQQMO-UHFFFAOYSA-N