Boronic acid,B-5-quinolinyl- (355386-94-6)

The 5-Quinolineboronic acid with cas registry number of 355386-94-6 belongs to the following categories: boronic acid; organoborons; quinoline. Both its systematic name and IUPAC name are the same which is called quinolin-5-ylboronic acid.

The physical properties about this chemical are: (1)ACD/LogP: 1.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.43; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 7.06; (6)ACD/BCF (pH 7.4): 1.94; (7)ACD/KOC (pH 5.5): 138.5; (8)ACD/KOC (pH 7.4): 38.03; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3 ; (12)Index of Refraction: 1.644; (13)Molar Refractivity: 48.64 cm³; (14)Molar Volume: 134.2 cm³; (15)Surface Tension: 59.1 dyne/cm; (16)Density: 1.28 g/cm³; (17)Flash Point: 195.9 °C; (18)Enthalpy of Vaporization: 68.66 kJ/mol; (19)Boiling Point: 400.3 °C at 760 mmHg; (20)Vapour Pressure: 3.99E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, it is better to wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cccc2ncccc12;
(2)InChI: InChI=1/C9H8BNO2/c12-10(13)8-4-1-5-9-7(8)3-2-6-11-9/h1-6,12-13H;
(3)InChIKey: NWIJBOCPTGHGIK-UHFFFAOYAZ