Quinazoline, 4-bromo- (354574-59-7)

The 4-Bromoquinazoline, with cas registry number 354574-59-7, has the systematic name of 4-Bromoquinazoline. Besides this, it is also called quinazoline, 4-bromo-.

Physical properties about this chemical are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.83; (6)ACD/BCF (pH 7.4): 13.83; (7)ACD/KOC (pH 5.5): 228.2; (8)ACD/KOC (pH 7.4): 228.2; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 47.96 cm³; (15)Molar Volume: 126.1 cm³; (16)Polarizability: 19.01×10^-24cm³; (17)Surface Tension: 59.1 dyne/cm; (18)Enthalpy of Vaporization: 52.28 kJ/mol; (19)Vapour Pressure: 0.00159 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1ccc2c(c1)c(ncn2)Br
(2)InChI: InChI=1/C8H5BrN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
(3)InChIKey: WJYKTNSYMVJDBR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H5BrN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
(5)Std. InChIKey: WJYKTNSYMVJDBR-UHFFFAOYSA-N