The 10-(2-Naphthyl)anthracene-9-boronic acid, with the cas registry number 597554-03-5, has the systematic name of (10-naphthalen-2-ylanthracen-9-yl)boronic acid.
The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 7.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.04; (4)ACD/LogD (pH 7.4): 7.01; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 40.46; (9)Index of Refraction: 1.767; (10)Molar Refractivity: 110.66 cm3; (11)Molar Volume: 266.9 cm3; (12)Polarizability: 43.87 ×10-24 cm3; (13)Surface Tension: 65.1 dyne/cm; (14)Density: 1.3 g/cm3; (15)Flash Point: 308.1 °C; (16)Enthalpy of Vaporization: 92.03 kJ/mol; (17)Boiling Point: 585.8 °C at 760 mmHg; (18)Vapour Pressure: 1.45E-14 mmHg at 25°C.
Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:OB(O)c2c1ccccc1c(c3ccccc23)c4ccc5ccccc5c4
(2)InChI:InChI=1/C24H17BO2/c26-25(27)24-21-11-5-3-9-19(21)23(20-10-4-6-12-22(20)24)18-14-13-16-7-1-2-8-17(16)15-18/h1-15,26-27H
(3)InChIKey:YGVDBZMVEURVOW-UHFFFAOYAA
|